A0A5K4F2I2_SCHMA Loading...

Retinol dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A5K4F2I2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 540 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	35.3	Very low	233 Å²	233	152.1 Å²	152.1	100%	1.148	81%	0.809	S	S	*	*				0	95	0	-65	160.4	174.3	0	0	106
2	S	32.9	Very low	35.2	Very low	107 Å²	107	152.2 Å²	152.2	75%	0.748	81%	0.808	S	S	*	*				50.9	124.3	81.3	60.8	0	0	0	0	112.1
3	K	42.6	Very low	34.9	Very low	191 Å²	191	154.9 Å²	154.9	83%	0.83	81%	0.814	S	S	*	*			cis	-134	151.6	26.1	-46.7	159	-175.9	173.7	0	108.6
4	Q	35.3	Very low	34.7	Very low	170 Å²	170	152.6 Å²	152.6	79%	0.794	80%	0.799	S	S	*	*				52.7	137.4	53	-74.6	-173.6	-21.6	0	0	113.2
5	N	35.8	Very low	34.7	Very low	132 Å²	132	151 Å²	151	71%	0.706	80%	0.798	S	S	*	*			cis	-165.4	-176.7	0.2	-123.8	15.2	0	0	0	107.4
6	P	37.9	Very low	34.4	Very low	110 Å²	110	147.3 Å²	147.3	71%	0.714	79%	0.788	S	S	*	*			cis	-127	-167.9	-49.7	37.6	-19.5	0	0	0	112.2
7	T	32.3	Very low	34.5	Very low	121 Å²	121	145 Å²	145	74%	0.742	77%	0.772	S	S	*	*			trans	-70.1	158.1	175.1	44.2	0	0	0	0	115
8	N	35.4	Very low	34.6	Very low	170 Å²	170	146.8 Å²	146.8	91%	0.909	77%	0.771	S	S	*	*			trans	-137.6	94.3	162.6	-133.5	6.4	0	0	0	109.1
9	E	31	Very low	34.7	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	74%	0.739	S	S	*	*			trans	-94.4	107.3	176.8	-71	-167.6	131.8	0	0	110.8
10	S	34.7	Very low	35	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	74%	0.735	S	S	*	*			trans	-100.1	89	168.1	44.4	0	0	0	0	110.3	L12	S10-L12 PolarHBondContact O-N 3.31Å
11	Q	31.4	Very low	35.3	Very low	168 Å²	168	137.5 Å²	137.5	79%	0.785	73%	0.731	S	S	*	*			trans	-66.4	96	176.1	-69.4	-169.7	4	0	0	111.3	Q13	Q11-Q13 PolarHBondContact O-N 2.96Å
12	L	34.9	Very low	35.5	Very low	153 Å²	153	128.7 Å²	128.7	80%	0.801	69%	0.691	S	S	*	*			trans	-67.6	107	166	-81.3	164	0	0	0	109.4	S10 M14	S10-L12 PolarHBondContact O-N 3.31Å; L12-M14 PolarHBondContact O-N 3.29Å
13	Q	30.8	Very low	35.7	Very low	188 Å²	188	130.7 Å²	130.7	88%	0.879	69%	0.693	S	S	*	*			trans	-65.2	96.2	173.4	-72.1	-174.6	-17.7	0	0	110.5	Q11 T15	Q11-Q13 PolarHBondContact O-N 2.96Å; Q13-T15 PolarHBondContact O-N 2.94Å
14	M	32.4	Very low	35.3	Very low	123 Å²	123	128.5 Å²	128.5	61%	0.606	69%	0.685	S	S	*	*			trans	-72.6	109.2	172.8	-67.6	-168.5	-178.6	0	0	110.4	L12 S16	L12-M14 PolarHBondContact O-N 3.29Å; M14-S16 PolarHBondContact O-N 2.59Å
15	T	34.1	Very low	35.1	Very low	128 Å²	128	126.8 Å²	126.8	79%	0.785	68%	0.682	S	S	*	*			trans	-68.8	109.4	168.9	42.8	0	0	0	0	109.8	Q13 Q17	Q13-T15 PolarHBondContact O-N 2.94Å; T15-Q17 PolarHBondContact O-N 2.86Å
16	S	30	Very low	34.7	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	69%	0.685	S	S	*	*			trans	-73.9	101.9	-177.3	64.1	0	0	0	0	111.5	M14 K18	M14-S16 PolarHBondContact O-N 2.59Å; S16-K18 PolarHBondContact O-N 3.14Å
17	Q	36.3	Very low	34.5	Very low	108 Å²	108	128.6 Å²	128.6	51%	0.505	69%	0.685	S	S	.	*			trans	-72.2	104.2	162.8	-64.9	-168.7	-24.7	0	0	108.3	T15 Y19	T15-Q17 PolarHBondContact O-N 2.86Å; Q17-Y19 HydrophobicContact CB-CE1 4.36Å
18	K	35.6	Very low	34.7	Very low	177 Å²	177	130.4 Å²	130.4	77%	0.77	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-73.4	134	150.1	-72.3	-174.3	173.9	-174.1	0	106.6	S16	S16-K18 PolarHBondContact O-N 3.14Å
19	Y	37.7	Very low	34.7	Very low	39 Å²	39	130.5 Å²	130.5	15%	0.153	69%	0.691	C	S	.	*	P	Polyproline II helix	trans	-83.5	146.6	166.4	-59.8	-58.9	0	0	0	109.8	Q17 T21 E378 L381 P382 D539	Q17-Y19 HydrophobicContact CB-CE1 4.36Å; Y19-T21 PolarHBondContact O-N 2.91Å; Y19-E378 PolarHBondContact OH-O 3.22Å; Y19-L381 HydrophobicContact CE2-CD1 4.49Å; Y19-P382 HydrophobicContact CD1-CG 4.24Å; Y19-P382 HydrophobicContact CE1-CG 3.65Å; Y19-D539 WeakPolarHBondContact CB-OD2 3.49Å; Y19-D539 PolarHBondContact N-OD2 3.4Å
20	P	40.4	Very low	34.9	Very low	102 Å²	102	126.1 Å²	126.1	66%	0.662	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-63.9	128.9	163.9	27.2	-31.9	0	0	0	108.7	K385	P20-K385 PolarHBondContact O-NZ 3.36Å
21	T	41.8	Very low	34.8	Very low	105 Å²	105	128 Å²	128	64%	0.644	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-58.4	148.4	161.5	43.7	0	0	0	0	109.1	Y19 L23	Y19-T21 PolarHBondContact O-N 2.91Å; T21-L23 PolarHBondContact O-N 3.09Å
22	C	42.8	Very low	35.1	Very low	48 Å²	48	126.7 Å²	126.7	32%	0.324	69%	0.689	S	S	.	*			trans	-78.9	57.8	-173.4	-62.4	0	0	0	0	112.2	C444	C22-C444 HydrophobicContact CB-CB 4.11Å; C22-C444 WeakPolarHBondContact CB-SG 3.41Å; C22-C444 WeakPolarHBondContact SG-CB 3.5Å; C22-C444 CovalentContact SG-SG 2.04Å; C22-C444 PolarHBondContact SG-SG 2.99Å
23	L	36	Very low	35.1	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	69%	0.686	S	S	*	*			trans	-70.2	127.6	171.6	-68.8	173.7	0	0	0	109.8	T21 N25	T21-L23 PolarHBondContact O-N 3.09Å; L23-N25 PolarHBondContact O-N 2.96Å
24	H	35.2	Very low	35.2	Very low	145 Å²	145	122.3 Å²	122.3	67%	0.671	68%	0.681	S	S	*	*			trans	-67.2	116.9	177	-81.9	50.5	0	0	0	110.6	N26	H24-N26 PolarHBondContact O-N 2.96Å
25	N	30.4	Very low	35.2	Very low	135 Å²	135	122.2 Å²	122.2	72%	0.722	69%	0.693	S	S	*	*			trans	-83.1	64.9	176.5	-167.3	23.7	0	0	0	111.3	L23 N27	L23-N25 PolarHBondContact O-N 2.96Å; N25-N27 PolarHBondContact O-N 3.48Å; N25-N27 PolarHBondContact OD1-ND2 3.09Å
26	N	28.4	Very low	34.9	Very low	143 Å²	143	122.5 Å²	122.5	77%	0.765	70%	0.695	S	S	*	*			trans	-74	75.2	172	-86	5.2	0	0	0	110.5	H24	H24-N26 PolarHBondContact O-N 2.96Å
27	N	34.2	Very low	35.1	Very low	136 Å²	136	124.2 Å²	124.2	73%	0.727	70%	0.701	S	S	*	*			trans	-102.2	110	167.2	-91.7	-27	0	0	0	109.9	N25	N25-N27 PolarHBondContact O-N 3.48Å; N25-N27 PolarHBondContact OD1-ND2 3.09Å
28	N	36.3	Very low	34.7	Very low	160 Å²	160	127.6 Å²	127.6	86%	0.856	72%	0.717	S	S	*	*			trans	-64.6	147.5	171.8	-77.6	-32.3	0	0	0	111	G30	N28-G30 PolarHBondContact O-N 2.96Å
29	N	34.5	Very low	34.7	Very low	172 Å²	172	128.2 Å²	128.2	92%	0.92	72%	0.722	S	S	*	*			trans	-62.2	121.9	170.5	-82.9	-27	0	0	0	110.8
30	G	35.5	Very low	34.4	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	76%	0.756	S	S	*	*			trans	-114.7	120.4	161.8	0	0	0	0	0	109.3	N28	N28-G30 PolarHBondContact O-N 2.96Å
31	N	33.1	Very low	33.8	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	77%	0.765	S	S	*	*			trans	-62.4	142	174.2	-77.2	-24.2	0	0	0	110.9
32	N	37.1	Very low	33.3	Very low	140 Å²	140	141.2 Å²	141.2	75%	0.749	78%	0.775	S	S	*	*				179.5	130.4	112.3	-87.1	-28.5	0	0	0	113.9
33	N	35	Very low	32.6	Very low	135 Å²	135	145.3 Å²	145.3	72%	0.722	79%	0.792	S	S	*	*			trans	51.3	95.9	138.5	-56.3	-9.5	0	0	0	120.6
34	S	32.1	Very low	32.4	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	79%	0.794	S	S	*	*				38.7	112.1	122.7	63.6	0	0	0	0	120.4
35	S	32.5	Very low	32.1	Very low	122 Å²	122	143.8 Å²	143.8	85%	0.853	80%	0.799	S	S	*	*			trans	-154.2	146	135.6	55	0	0	0	0	111.1
36	T	29.2	Very low	32.1	Very low	133 Å²	133	143 Å²	143	82%	0.816	80%	0.804	S	S	*	*			trans	-94.2	128.4	-167.2	-50.1	0	0	0	0	112.1
37	V	32.7	Very low	32.2	Very low	129 Å²	129	141.8 Å²	141.8	78%	0.782	80%	0.804	S	S	*	*			trans	-132.2	121.8	163	-179	0	0	0	0	109.8
38	Q	29.2	Very low	31.9	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	81%	0.808	S	S	*	*			trans	-84.7	136	171.4	-64.1	175.2	-11.4	0	0	110.1
39	Q	34.2	Very low	31.6	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	80%	0.802	S	S	*	*			trans	-131.3	144	152.6	-76.1	-163.4	-12.2	0	0	110.3
40	K	31.5	Very low	31.3	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	80%	0.795	S	S	*	*			trans	-74.8	142.1	-168	-69.9	176.7	174.8	177	0	111.8
41	Q	28.5	Very low	31.1	Very low	181 Å²	181	147.8 Å²	147.8	85%	0.846	80%	0.798	S	S	*	*			trans	-66.5	136.9	153.8	-69.1	174.2	-30.4	0	0	109.3
42	T	30.7	Very low	31	Very low	139 Å²	139	145.9 Å²	145.9	85%	0.853	80%	0.797	S	S	*	*			trans	-115.1	108.6	167	-40.9	0	0	0	0	107.7
43	I	28.4	Very low	30.7	Very low	134 Å²	134	145.9 Å²	145.9	69%	0.687	79%	0.792	S	S	*	*			trans	-80.9	130.1	179.4	-61.6	169.6	0	0	0	108.8	N45	I43-N45 VanDerWaalsContact CG2-OD1 3.31Å; I43-N45 WeakPolarHBondContact CG2-OD1 3.3Å
44	S	32.4	Very low	30.6	Very low	116 Å²	116	146.3 Å²	146.3	81%	0.811	79%	0.794	S	S	*	*			trans	-122.9	98.6	170.3	63	0	0	0	0	110.2
45	N	28.6	Very low	30.4	Very low	145 Å²	145	148.6 Å²	148.6	78%	0.775	79%	0.792	S	S	*	*			trans	-71.1	142.4	176.5	-65.9	-17.2	0	0	0	110.7	I43	I43-N45 VanDerWaalsContact CG2-OD1 3.31Å; I43-N45 WeakPolarHBondContact CG2-OD1 3.3Å
46	S	30.3	Very low	30.3	Very low	118 Å²	118	154 Å²	154	83%	0.825	79%	0.794	S	S	*	*			trans	-155.8	149.6	157	-82.2	0	0	0	0	109.1
47	P	31.1	Very low	30.1	Very low	117 Å²	117	152.9 Å²	152.9	76%	0.76	79%	0.787	S	S	*	*				-94.7	151.9	-127.5	32.6	-37.5	0	0	0	116.3
48	E	26.8	Very low	29.9	Very low	175 Å²	175	153 Å²	153	82%	0.818	79%	0.788	S	S	*	*			trans	-66.9	136.5	162.3	-62.1	179.4	115.2	0	0	110.7
49	I	30.7	Very low	29.7	Very low	142 Å²	142	149.9 Å²	149.9	73%	0.728	78%	0.781	S	S	*	*			trans	-99.4	93.5	172.8	-59.6	179.4	0	0	0	108.5	F51	I49-F51 HydrophobicContact CG2-CD2 3.8Å; I49-F51 HydrophobicContact CG2-CE2 3.62Å
50	H	27.7	Very low	29.5	Very low	165 Å²	165	150.8 Å²	150.8	76%	0.764	78%	0.782	S	S	*	*			trans	-64.8	131.2	167.2	-98	-96.3	0	0	0	110.7
51	F	32	Very low	29.2	Very low	183 Å²	183	144.6 Å²	144.6	80%	0.803	78%	0.776	S	S	*	*			trans	-123.9	119.3	157.2	-90.9	-76.5	0	0	0	110.4	I49	I49-F51 HydrophobicContact CG2-CD2 3.8Å; I49-F51 HydrophobicContact CG2-CE2 3.62Å
52	S	30.6	Very low	29.5	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	78%	0.78	S	S	*	*			trans	-64.7	156.5	177.6	-169	0	0	0	0	111.7
53	H	30.5	Very low	29.5	Very low	139 Å²	139	146.3 Å²	146.3	64%	0.644	78%	0.781	S	S	*	*			trans	-119.7	122.8	159.9	-85.3	33.2	0	0	0	107.1
54	D	32.9	Very low	29.7	Very low	145 Å²	145	145 Å²	145	78%	0.775	78%	0.782	S	S	*	*			trans	-107.8	143	166.9	-165.7	6	0	0	0	109.3
55	Q	27.6	Very low	29.8	Very low	160 Å²	160	147.5 Å²	147.5	75%	0.748	79%	0.786	S	S	*	*			trans	-113.6	137.6	-173.4	-68.4	-175.9	-14.4	0	0	110.5
56	R	30.3	Very low	29.8	Very low	237 Å²	237	146 Å²	146	89%	0.894	78%	0.782	S	S	*	*			trans	-135.1	136.1	150.2	-67.4	-166.1	-176.8	-167.1	0.5	111.4
57	V	24.6	Very low	29.9	Very low	108 Å²	108	146.1 Å²	146.1	66%	0.655	78%	0.778	S	S	*	*			trans	-103	143.8	-175.9	173.6	0	0	0	0	109.3	T59	V57-T59 HydrophobicContact CG1-CG2 3.88Å
58	V	28.5	Very low	29.9	Very low	133 Å²	133	147.7 Å²	147.7	81%	0.806	78%	0.78	S	S	*	*			trans	-134.7	123.1	151.3	-176.7	0	0	0	0	108	F60	V58-F60 HydrophobicContact CG1-CD2 4.42Å; V58-F60 HydrophobicContact CG1-CE2 4.22Å
59	T	25.2	Very low	30	Very low	113 Å²	113	145.1 Å²	145.1	69%	0.693	78%	0.776	S	S	*	*			trans	-99.5	139.4	177.9	46.7	0	0	0	0	111.4	V57	V57-T59 HydrophobicContact CG1-CG2 3.88Å
60	F	30.9	Very low	30	Very low	207 Å²	207	145.5 Å²	145.5	91%	0.908	79%	0.785	S	S	*	*			trans	-138.7	147.8	151.1	-80.9	-77.4	0	0	0	109.2	V58	V58-F60 HydrophobicContact CG1-CD2 4.42Å; V58-F60 HydrophobicContact CG1-CE2 4.22Å
61	G	25.8	Very low	30	Very low	71 Å²	71	142.4 Å²	142.4	73%	0.732	78%	0.782	S	S	*	*			trans	-172.2	159.7	177.6	0	0	0	0	0	112.2
62	T	33.2	Very low	29.9	Very low	152 Å²	152	141.7 Å²	141.7	93%	0.933	79%	0.787	S	S	*	*			trans	-138.3	165	172.9	37.7	0	0	0	0	109.6
63	K	30.9	Very low	29.6	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	79%	0.791	S	S	*	*			trans	-96.3	161.5	-156	-92	-175.4	174.2	-178.6	0	115.3
64	P	33.7	Very low	29.6	Very low	107 Å²	107	142.9 Å²	142.9	70%	0.695	80%	0.797	S	S	*	*			trans	-89.1	-179.8	-176	38.9	-38.5	0	0	0	113.1
65	N	32.9	Very low	29.4	Very low	168 Å²	168	142.4 Å²	142.4	90%	0.898	80%	0.799	S	S	*	*			trans	-132.3	153.5	156.7	-105.9	-18.1	0	0	0	110.1
66	T	30.4	Very low	29.3	Very low	113 Å²	113	141.3 Å²	141.3	69%	0.693	80%	0.803	S	S	*	*			trans	-136.9	177.7	-172	48.5	0	0	0	0	111.5
67	T	31.8	Very low	29.2	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	80%	0.797	S	S	*	*			trans	76.2	142.8	177.7	89.9	0	0	0	0	114.1
68	N	31.6	Very low	29.2	Very low	151 Å²	151	136.3 Å²	136.3	81%	0.807	81%	0.806	S	S	*	*			cis	-136.8	170.2	25.6	-108.7	-38.9	0	0	0	115.8
69	T	27.7	Very low	29.5	Very low	121 Å²	121	135 Å²	135	74%	0.742	80%	0.803	S	S	*	*			trans	-78.6	153.1	178.5	50.4	0	0	0	0	114.8
70	T	31.1	Very low	29.6	Very low	149 Å²	149	138.1 Å²	138.1	91%	0.914	81%	0.81	S	S	*	*				-153.2	148.6	122.9	18.2	0	0	0	0	111
71	S	26.9	Very low	29.6	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	81%	0.806	S	S	*	*			trans	-101.2	158.8	176.2	51.1	0	0	0	0	111.4
72	N	30.9	Very low	29.7	Very low	169 Å²	169	140.1 Å²	140.1	90%	0.904	81%	0.813	S	S	*	*			trans	-152.5	141.3	152.7	-101.9	-33.5	0	0	0	110.5
73	L	25	Very low	29.5	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	81%	0.806	S	S	*	*			trans	-103.4	139.6	173.4	-78.3	74.7	0	0	0	109.8
74	S	29.2	Very low	29.5	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	80%	0.802	S	S	*	*			trans	-154.5	109.2	145.6	40.2	0	0	0	0	108.7
75	V	29.3	Very low	29.2	Very low	134 Å²	134	143.7 Å²	143.7	81%	0.812	81%	0.809	S	S	*	*				67.6	112.4	100.9	177.8	0	0	0	0	113.2
76	V	25.3	Very low	29	Very low	138 Å²	138	141.1 Å²	141.1	84%	0.836	80%	0.804	S	S	*	*			trans	-100.8	129.7	169.8	173.6	0	0	0	0	108.9
77	P	28.5	Very low	29	Very low	118 Å²	118	144 Å²	144	77%	0.766	81%	0.81	S	S	*	*			trans	-92.8	155	158.9	8.4	10.9	0	0	0	111.3
78	S	25.5	Very low	28.8	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	81%	0.809	S	S	*	*			trans	-125.1	115.2	-180	58.1	0	0	0	0	112.8
79	S	33	Very low	28.7	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	81%	0.808	S	S	*	*			trans	-149.9	147.3	155.8	60.9	0	0	0	0	105.2
80	E	28.6	Very low	28.7	Very low	179 Å²	179	143.9 Å²	143.9	84%	0.836	80%	0.799	S	S	*	*			cis	61	144.2	48.7	-60.6	-159	144.8	0	0	112.7
81	D	30.7	Very low	28.7	Very low	156 Å²	156	143.3 Å²	143.3	83%	0.834	79%	0.79	S	S	*	*			trans	72.1	115.6	-154	-48.6	-30.2	0	0	0	112.6
82	D	27.8	Very low	29.1	Very low	165 Å²	165	145.1 Å²	145.1	88%	0.882	79%	0.792	S	S	*	*				73.5	159.6	51.4	-87	-24.3	0	0	0	115.1
83	E	29.1	Very low	29.3	Very low	165 Å²	165	141.3 Å²	141.3	77%	0.771	77%	0.771	S	S	*	*			trans	84.3	161.2	179.4	-148.3	178.3	-121.9	0	0	117.4
84	W	29.9	Very low	29.9	Very low	213 Å²	213	138.6 Å²	138.6	81%	0.807	76%	0.76	S	S	*	*			trans	59.2	106.9	-180	-51.4	73.5	0	0	0	115.7
85	D	29.1	Very low	30.2	Very low	159 Å²	159	136.6 Å²	136.6	85%	0.85	75%	0.751	S	S	*	*				-147.9	148	59	-89.5	-32.8	0	0	0	114
86	S	27.1	Very low	30.5	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	73%	0.729	S	S	*	*			trans	-118.4	107	177.4	58.8	0	0	0	0	112.3
87	E	31.2	Very low	31	Very low	173 Å²	173	130.1 Å²	130.1	81%	0.808	71%	0.71	S	S	*	*			trans	-126.7	133.7	160.3	-73.3	-165.9	143.9	0	0	109.7
88	T	27.4	Very low	31.6	Very low	116 Å²	116	128.3 Å²	128.3	71%	0.712	69%	0.693	S	S	*	*			trans	-108.7	166.5	-174	47.2	0	0	0	0	112.9
89	E	29.1	Very low	32.1	Very low	168 Å²	168	127.5 Å²	127.5	79%	0.785	68%	0.679	S	S	*	*			trans	78.6	155.1	158.4	-70.3	146.6	130.9	0	0	120.6
90	D	28.8	Very low	32.3	Very low	106 Å²	106	128.5 Å²	128.5	57%	0.567	67%	0.67	S	S	*	*			trans	59.1	68	163.9	-67.2	-7.3	0	0	0	122.1	I93	D90-I93 HydrophobicContact CB-CD1 4.27Å
91	L	29.7	Very low	32.7	Very low	137 Å²	137	124.5 Å²	124.5	72%	0.717	66%	0.662	S	S	*	*			trans	-92.6	2.4	161.3	-82.9	171.6	0	0	0	115.8
92	N	36.1	Very low	33	Very low	139 Å²	139	122.6 Å²	122.6	74%	0.743	65%	0.648	S	S	*	*	S	Bend	trans	-89.6	-11.4	-173.1	-80.1	-32.3	0	0	0	116
93	I	35.9	Very low	33.2	Very low	89 Å²	89	122.9 Å²	122.9	46%	0.456	64%	0.644	S	S	.	*	H	α-helix	trans	-80.3	-34.2	-163.4	-62.9	176.7	0	0	0	113.5	D90 A95 A96	D90-I93 HydrophobicContact CB-CD1 4.27Å; I93-A95 PolarHBondContact O-N 3.35Å; I93-A96 PolarHBondContact O-N 3.4Å
94	V	36	Very low	33.4	Very low	104 Å²	104	122.8 Å²	122.8	63%	0.63	65%	0.648	S	S	*	*	H	α-helix	trans	-73.7	-26.8	-174.9	-177	0	0	0	0	112.9
95	A	36.5	Very low	33.4	Very low	69 Å²	69	119.2 Å²	119.2	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-81.4	-21.2	175.1	0	0	0	0	0	113.5	I93 N99	I93-A95 PolarHBondContact O-N 3.35Å; A95-N99 PolarHBondContact O-ND2 2.97Å
96	A	34.6	Very low	33.5	Very low	43 Å²	43	117.4 Å²	117.4	36%	0.355	65%	0.65	S	S	.	*	H	α-helix	trans	-75.9	-43.1	-177.7	0	0	0	0	0	112.6	I93 I98 N99 K100	I93-A96 PolarHBondContact O-N 3.4Å; A96-I98 VanDerWaalsContact C-N 3.28Å; A96-I98 PolarHBondContact O-N 2.97Å; A96-N99 PolarHBondContact O-N 3.23Å; A96-K100 PolarHBondContact O-N 3.03Å
97	E	37.3	Very low	33.8	Very low	93 Å²	93	115.8 Å²	115.8	44%	0.435	65%	0.651	S	S	.	*	H	α-helix	trans	-73.1	-18.5	-170.7	-130.6	59.2	-156.8	0	0	113.9	K100	E97-K100 WeakPolarHBondContact OE1-CD 3.46Å; E97-K100 IonicContact OE1-NZ 3.07Å; E97-K100 PolarHBondContact OE1-NZ 3.25Å; E97-K100 IonicContact OE2-NZ 2.75Å; E97-K100 PolarHBondContact OE2-NZ 3.44Å
98	I	39.6	Very low	34	Very low	80 Å²	80	112.9 Å²	112.9	41%	0.41	65%	0.65	S	S	.	*	H	α-helix	trans	-76.2	-33.4	171.1	-65.4	175.8	0	0	0	110.9	A96 S101 M420	A96-I98 VanDerWaalsContact C-N 3.28Å; A96-I98 PolarHBondContact O-N 2.97Å; I98-S101 PolarHBondContact O-OG 2.87Å; I98-M420 HydrophobicContact CD1-CE 4.31Å
99	N	37	Very low	34.2	Very low	104 Å²	104	111.4 Å²	111.4	56%	0.556	64%	0.644	S	S	*	*	H	α-helix	trans	-81	-28.6	-178.1	-75.9	-56	0	0	0	113.8	A95 A96 S101 Q102	A95-N99 PolarHBondContact O-ND2 2.97Å; A96-N99 PolarHBondContact O-N 3.23Å; N99-S101 PolarHBondContact O-N 3.16Å; N99-S101 VanDerWaalsContact O-N 3.1Å; N99-Q102 PolarHBondContact O-N 3.27Å; N99-Q102 VanDerWaalsContact O-N 3.15Å
100	K	36.6	Very low	34.4	Very low	126 Å²	126	110 Å²	110	55%	0.548	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-58.6	-22.1	175.3	-80.7	170.1	176.6	164.2	0	114.2	A96 E97 Q102	A96-K100 PolarHBondContact O-N 3.03Å; E97-K100 WeakPolarHBondContact OE1-CD 3.46Å; E97-K100 IonicContact OE1-NZ 3.07Å; E97-K100 PolarHBondContact OE1-NZ 3.25Å; E97-K100 IonicContact OE2-NZ 2.75Å; E97-K100 PolarHBondContact OE2-NZ 3.44Å; K100-Q102 PolarHBondContact O-N 2.84Å
101	S	36.6	Very low	34.7	Very low	95 Å²	95	114 Å²	114	66%	0.664	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-76.1	-3.6	178.7	68.1	0	0	0	0	114.9	I98 N99	I98-S101 PolarHBondContact O-OG 2.87Å; N99-S101 PolarHBondContact O-N 3.16Å; N99-S101 VanDerWaalsContact O-N 3.1Å
102	Q	37.2	Very low	34.7	Very low	116 Å²	116	112.1 Å²	112.1	54%	0.542	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-112.1	11.2	-174.5	-61.2	-171.1	9	0	0	115.2	N99 K100	N99-Q102 PolarHBondContact O-N 3.27Å; N99-Q102 VanDerWaalsContact O-N 3.15Å; K100-Q102 PolarHBondContact O-N 2.84Å
103	Q	32.6	Very low	34.6	Very low	172 Å²	172	111.2 Å²	111.2	80%	0.804	65%	0.652	S	S	*	*	S	Bend	trans	-115.2	23.4	-178.8	-69.3	-167.2	-18.8	0	0	115
104	L	32.2	Very low	34.4	Very low	162 Å²	162	113.9 Å²	113.9	85%	0.848	67%	0.668	S	S	*	*			trans	-125.6	39.9	-178	-73.2	174	0	0	0	114.2
105	T	30.7	Very low	34.2	Very low	139 Å²	139	114.1 Å²	114.1	85%	0.853	67%	0.671	S	S	*	*			trans	-138.8	47.2	179.4	46.3	0	0	0	0	114.5
106	S	30.6	Very low	34	Very low	121 Å²	121	119.5 Å²	119.5	85%	0.846	69%	0.69	S	S	*	*			trans	-141.5	81.8	169.5	60.4	0	0	0	0	111.9
107	G	34	Very low	33.9	Very low	80 Å²	80	126.8 Å²	126.8	83%	0.825	71%	0.713	S	S	*	*			trans	-159.8	116.8	-176.6	0	0	0	0	0	112.9
108	S	34.7	Very low	33.6	Very low	111 Å²	111	128.3 Å²	128.3	78%	0.776	73%	0.731	S	S	*	*			trans	-58.9	134.3	-164.4	-166.3	0	0	0	0	118.1
109	S	32.3	Very low	33.3	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	75%	0.753	S	S	*	*			trans	60.7	138.1	134.4	68.4	0	0	0	0	123.9
110	N	34.3	Very low	32.9	Very low	137 Å²	137	133.8 Å²	133.8	73%	0.733	76%	0.764	S	S	*	*			trans	98	106.4	143.6	-71.1	-39	0	0	0	122.3
111	K	34.8	Very low	32.8	Very low	191 Å²	191	132.8 Å²	132.8	83%	0.83	77%	0.773	S	S	*	*			trans	79.2	103.7	133.5	-65.7	-176.1	178.3	-178.8	0	121.6
112	S	30.2	Very low	32.5	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	78%	0.778	S	S	*	*				86.5	123.9	121	-160.2	0	0	0	0	120.9
113	T	32.1	Very low	32.3	Very low	119 Å²	119	139.8 Å²	139.8	73%	0.73	78%	0.783	S	S	*	*			trans	59.3	139.1	149.6	46.6	0	0	0	0	118.6
114	N	33	Very low	32.2	Very low	146 Å²	146	139.6 Å²	139.6	78%	0.781	78%	0.779	S	S	*	*			cis	-151.4	162.3	9.4	-122.7	-6.7	0	0	0	110.6
115	P	31	Very low	32.2	Very low	109 Å²	109	136.8 Å²	136.8	71%	0.708	77%	0.773	S	S	*	*			trans	-97.4	136.1	-175.1	35.7	-31.8	0	0	0	114.4
116	L	33.6	Very low	32.2	Very low	182 Å²	182	136 Å²	136	95%	0.953	76%	0.763	S	S	*	*			trans	-138.1	157.8	165.5	-81.6	176.5	0	0	0	112.1
117	K	32.5	Very low	32.3	Very low	196 Å²	196	137.4 Å²	137.4	85%	0.852	76%	0.762	S	S	*	*			trans	-100.5	162.4	-170.4	-94.2	-178.5	176.8	178.4	0	113.1
118	P	30.1	Very low	32	Very low	124 Å²	124	138.8 Å²	138.8	81%	0.805	76%	0.759	S	S	*	*			trans	-80.5	163.3	-167.4	33.2	-37.9	0	0	0	114.8
119	I	32.5	Very low	31.9	Very low	170 Å²	170	140.3 Å²	140.3	87%	0.872	76%	0.756	S	S	*	*			trans	-108.3	148.4	177	-65.5	175	0	0	0	110.3
120	T	29.1	Very low	31.9	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	77%	0.768	S	S	*	*			trans	-113.1	150.5	-176.1	52.8	0	0	0	0	113.9
121	S	34.3	Very low	31.6	Very low	105 Å²	105	144.3 Å²	144.3	73%	0.734	77%	0.771	S	S	*	*			trans	-146.1	115.8	164.1	43.4	0	0	0	0	108.8
122	Y	31.2	Very low	31.6	Very low	194 Å²	194	140.5 Å²	140.5	76%	0.761	77%	0.769	S	S	*	*				81.7	145.7	93.2	-76.9	-55.6	0	0	0	113.9
123	Y	31.7	Very low	31.6	Very low	165 Å²	165	140.3 Å²	140.3	65%	0.647	77%	0.767	S	S	*	*			cis	-156.4	140.5	9.8	-133.6	-59.5	0	0	0	111.6
124	K	31.5	Very low	31.4	Very low	167 Å²	167	142.1 Å²	142.1	73%	0.726	77%	0.771	S	S	*	*			trans	33.7	160.5	157.7	-76.6	173.1	-175.6	170.3	0	121.7
125	S	32.9	Very low	31.4	Very low	103 Å²	103	144 Å²	144	72%	0.72	78%	0.775	S	S	*	*			cis	-142.6	138	22.2	46.8	0	0	0	0	111.8
126	N	30.3	Very low	31.1	Very low	122 Å²	122	147.4 Å²	147.4	65%	0.652	78%	0.781	S	S	*	*				59.5	127.3	80.7	-77.3	76	0	0	0	113.3
127	N	32.8	Very low	31	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	78%	0.779	S	S	*	*			cis	-150.3	175.2	28.9	-94.3	-18	0	0	0	114
128	S	28	Very low	30.8	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	78%	0.776	S	S	*	*			trans	-152.4	173.4	165	-172.3	0	0	0	0	111.2
129	I	31.3	Very low	31	Very low	142 Å²	142	148.6 Å²	148.6	73%	0.728	78%	0.781	S	S	*	*			trans	75.4	108.7	169.2	-47.9	175.7	0	0	0	117.2
130	N	32.7	Very low	30.9	Very low	156 Å²	156	146 Å²	146	83%	0.834	78%	0.778	S	S	*	*				-162.9	155	110.9	-114.4	-34.8	0	0	0	113.1
131	N	28.4	Very low	30.9	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	78%	0.779	S	S	*	*			trans	-103	144.3	-178.5	-68.5	-44.3	0	0	0	111.9
132	S	34.3	Very low	30.9	Very low	111 Å²	111	150.4 Å²	150.4	78%	0.776	79%	0.789	S	S	*	*				-176.8	135.6	127.1	54.2	0	0	0	0	115.4
133	S	31.4	Very low	30.8	Very low	93 Å²	93	144.5 Å²	144.5	65%	0.65	79%	0.787	S	S	*	*			trans	52.6	116.9	140.2	62.1	0	0	0	0	123.9
134	I	27.5	Very low	30.6	Very low	157 Å²	157	143.1 Å²	143.1	81%	0.805	80%	0.796	S	S	*	*				98.6	138.5	117.1	-75.3	174.1	0	0	0	121.3
135	Q	31.5	Very low	30.4	Very low	186 Å²	186	144.9 Å²	144.9	87%	0.869	80%	0.803	S	S	*	*			trans	77.8	132.8	173.5	-59.8	-128.8	-5.4	0	0	119.7
136	Q	26.4	Very low	30.3	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	81%	0.811	S	S	*	*			trans	-89.9	151.4	176	-58.5	161.9	-45.1	0	0	110.8
137	K	31.6	Very low	30.3	Very low	210 Å²	210	148.3 Å²	148.3	91%	0.913	82%	0.817	S	S	*	*			trans	-158.7	146.4	137.2	-112.7	160.6	-172.6	173.4	0	111.1
138	N	27.9	Very low	30	Very low	147 Å²	147	146 Å²	146	79%	0.786	81%	0.814	S	S	*	*			trans	-79	150	-171.1	-54.8	-30.7	0	0	0	112
139	N	33.3	Very low	30.1	Very low	171 Å²	171	151.8 Å²	151.8	91%	0.914	82%	0.82	S	S	*	*			trans	-162.3	155.7	136	-99	-29.5	0	0	0	111.6
140	S	29.9	Very low	29.9	Very low	115 Å²	115	152 Å²	152	80%	0.804	82%	0.816	S	S	*	*			trans	-94.2	163.1	-161.7	-64	0	0	0	0	114.8
141	P	30.6	Very low	29.9	Very low	124 Å²	124	151.8 Å²	151.8	81%	0.805	82%	0.815	S	S	*	*			trans	-96.7	168.8	-164.3	38	-37.3	0	0	0	116
142	Q	33.2	Very low	29.8	Very low	202 Å²	202	152.3 Å²	152.3	94%	0.944	81%	0.812	S	S	*	*			trans	-131.8	149.8	163.2	-60.6	178.7	1.1	0	0	108.6
143	G	28.6	Very low	29.7	Very low	71 Å²	71	153.9 Å²	153.9	73%	0.732	81%	0.812	S	S	*	*			cis	155.3	65.1	-4.7	0	0	0	0	0	114
144	V	28.3	Very low	29.6	Very low	135 Å²	135	157.3 Å²	157.3	82%	0.818	82%	0.822	S	S	*	*			trans	-97	123.7	175.1	-178.3	0	0	0	0	110.2	F146	V144-F146 HydrophobicContact CG1-CE2 4.49Å
145	K	27	Very low	29.7	Very low	204 Å²	204	158.6 Å²	158.6	89%	0.887	82%	0.822	S	S	*	*			trans	-106.1	132.1	176.1	-71.8	179.9	175.8	178.8	0	110.7
146	F	30.4	Very low	29.5	Very low	203 Å²	203	154.8 Å²	154.8	89%	0.89	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-102.1	135.4	153.7	-82	-89.7	0	0	0	108.7	V144	V144-F146 HydrophobicContact CG1-CE2 4.49Å
147	A	30.3	Very low	29.4	Very low	94 Å²	94	152.6 Å²	152.6	78%	0.777	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-89.6	143.4	176.9	0	0	0	0	0	110.4
148	S	27.1	Very low	29.4	Very low	105 Å²	105	150.5 Å²	150.5	73%	0.734	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-103	136.5	169.9	57.4	0	0	0	0	110
149	Y	31.4	Very low	29.3	Very low	229 Å²	229	152.1 Å²	152.1	90%	0.898	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-96.2	121.1	167.1	-91.3	-88.7	0	0	0	109.3
150	K	27.2	Very low	29.2	Very low	148 Å²	148	150.7 Å²	150.7	64%	0.643	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-90.2	136.5	154.7	-75.4	-177.5	177.1	178.3	0	107.5
151	N	31.1	Very low	28.9	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	79%	0.793	S	S	*	*			trans	-114.6	131.2	161	-160.8	1	0	0	0	108.1
152	Q	26.7	Very low	28.8	Very low	162 Å²	162	154.3 Å²	154.3	76%	0.757	79%	0.793	S	S	*	*			trans	-132.1	103.2	178.4	-74.1	-174.5	-68.8	0	0	108.1
153	N	31.5	Very low	28.6	Very low	145 Å²	145	149.7 Å²	149.7	78%	0.775	78%	0.783	S	S	*	*			trans	173.8	141.8	169.1	-91.2	-28	0	0	0	106.1
154	L	30.5	Very low	28.3	Very low	165 Å²	165	153.3 Å²	153.3	86%	0.864	79%	0.79	S	S	*	*			cis	-125.2	-175.2	0.8	-68.5	92.4	0	0	0	110.9
155	K	30.2	Very low	28.3	Very low	184 Å²	184	151.9 Å²	151.9	80%	0.8	79%	0.786	S	S	*	*			trans	-105.6	166.4	171.1	-63.3	-179.9	171.6	-176	0	111
156	T	25.7	Very low	28.3	Very low	105 Å²	105	146.9 Å²	146.9	64%	0.644	78%	0.777	S	S	*	*			trans	37.6	139.4	137	58.8	0	0	0	0	120.5
157	D	26.2	Very low	28.4	Very low	135 Å²	135	144.8 Å²	144.8	72%	0.722	77%	0.774	S	S	*	*			cis	-162.3	-167.5	-2.5	-92.8	-27.3	0	0	0	108
158	D	31.1	Very low	28.6	Very low	165 Å²	165	148 Å²	148	88%	0.882	78%	0.778	S	S	*	*			trans	126.3	137.8	149.6	-63	-20.7	0	0	0	116.7
159	E	25.4	Very low	28.8	Very low	182 Å²	182	147 Å²	147	85%	0.85	79%	0.785	S	S	*	*			trans	-111.4	151.5	174.2	-61.5	-169.8	143.7	0	0	110.9
160	D	30.3	Very low	28.9	Very low	140 Å²	140	139.5 Å²	139.5	75%	0.749	78%	0.776	S	S	*	*			trans	-178.2	122	143.8	-98.2	-22.2	0	0	0	108
161	I	25.4	Very low	29.2	Very low	130 Å²	130	141 Å²	141	67%	0.667	79%	0.791	S	S	*	*				85.7	153.2	68.9	-69.9	-176.9	0	0	0	113.3
162	F	28.5	Very low	29.3	Very low	186 Å²	186	137.3 Å²	137.3	82%	0.816	78%	0.781	S	S	*	*			trans	79.2	141.9	-174.5	-59.7	-84.5	0	0	0	117.5
163	S	27.5	Very low	29.8	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	79%	0.786	S	S	*	*			cis	-169.6	160.4	-25.3	48.9	0	0	0	0	109.9
164	V	22.6	Very low	29.9	Very low	147 Å²	147	138.5 Å²	138.5	89%	0.891	79%	0.787	S	S	*	*			trans	-126.6	138.1	-178.6	177.2	0	0	0	0	112.7
165	S	28.7	Very low	30.2	Very low	105 Å²	105	138.5 Å²	138.5	73%	0.734	79%	0.787	S	S	*	*			trans	-158.4	157.1	164.1	52.6	0	0	0	0	109.3
166	S	26.4	Very low	30.5	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	78%	0.782	S	S	*	*			cis	153.8	124.9	-35.2	55.7	0	0	0	0	108.3
167	I	32.8	Very low	31	Very low	159 Å²	159	137.5 Å²	137.5	82%	0.815	79%	0.794	S	S	*	*			trans	167.9	115.1	166.9	-92.7	148.6	0	0	0	105.6
168	N	33.9	Very low	31.5	Very low	162 Å²	162	135.8 Å²	135.8	87%	0.866	79%	0.793	S	S	*	*				62	135.8	72.4	-62.7	-10.4	0	0	0	113.4
169	G	32.7	Very low	31.6	Very low	85 Å²	85	135.9 Å²	135.9	88%	0.876	79%	0.792	S	S	*	*			cis	168.5	169.1	-2.3	0	0	0	0	0	107.8
170	G	31.9	Very low	32.1	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	78%	0.778	S	S	*	*			cis	166.1	169	-2.9	0	0	0	0	0	110.9
171	L	35	Very low	32.5	Very low	180 Å²	180	131.4 Å²	131.4	94%	0.942	78%	0.778	S	S	*	*			trans	71.4	166.9	170.5	-52.8	172.9	0	0	0	118.9
172	A	32.8	Very low	33	Very low	74 Å²	74	132 Å²	132	61%	0.612	78%	0.778	S	S	*	*			cis	-174.7	168.4	-43.9	0	0	0	0	0	111.2
173	E	36.9	Very low	33.5	Very low	184 Å²	184	129.6 Å²	129.6	86%	0.86	77%	0.773	S	S	*	*			trans	66.1	163.3	164	-62.2	173.2	-163.1	0	0	118.6
174	D	34.7	Very low	34.2	Very low	147 Å²	147	129.5 Å²	129.5	79%	0.786	77%	0.772	S	S	*	*			cis	161.3	140.8	-45.8	-109.5	-39.1	0	0	0	108.3
175	N	36.3	Very low	35.2	Very low	165 Å²	165	127.6 Å²	127.6	88%	0.882	76%	0.763	S	S	*	*			trans	177.9	167.5	144.2	-105.7	-69.4	0	0	0	114.2
176	S	36.5	Very low	35.6	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	77%	0.77	S	S	*	*			trans	-140	165.6	-166.5	67.6	0	0	0	0	114.1
177	L	35.5	Very low	36.2	Very low	171 Å²	171	137.9 Å²	137.9	90%	0.895	78%	0.778	S	S	*	*			trans	176.4	-177.4	137.5	-96.2	162	0	0	0	113.1
178	S	36.1	Very low	36.2	Very low	99 Å²	99	135.8 Å²	135.8	69%	0.692	78%	0.777	S	S	*	*			trans	-149.7	170.9	-151.6	58.6	0	0	0	0	117.5
179	L	34.8	Very low	36.2	Very low	167 Å²	167	134.5 Å²	134.5	87%	0.874	78%	0.775	S	S	*	*			trans	105.4	129.3	141.2	-141.2	78.1	0	0	0	121.9
180	A	34.5	Very low	36.3	Very low	66 Å²	66	141.8 Å²	141.8	55%	0.545	78%	0.776	S	S	.	*			trans	68.8	128.1	144.8	0	0	0	0	0	125.2
181	Q	38.5	Very low	36.3	Very low	162 Å²	162	144.7 Å²	144.7	76%	0.757	78%	0.78	S	S	*	*			trans	63.4	148.4	136	-63.1	173.7	-96.1	0	0	120
182	E	37	Very low	36.5	Very low	142 Å²	142	141.1 Å²	141.1	66%	0.664	77%	0.77	S	S	*	*			cis	-156.9	158.9	-11.3	-120.1	174.6	137.2	0	0	112.6
183	L	37.9	Very low	36.7	Very low	135 Å²	135	148.9 Å²	148.9	71%	0.707	78%	0.783	S	S	*	*			trans	43	106.7	150.7	-65	165.5	0	0	0	122.4
184	S	43.4	Very low	37.3	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	78%	0.78	S	S	*	*				65.4	157.9	117.6	-59.7	0	0	0	0	122.7
185	P	43.2	Very low	38.1	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	78%	0.778	S	S	*	*			cis	-140	167.1	-42.7	40.6	-24.8	0	0	0	114.7
186	R	36.7	Very low	39.3	Very low	233 Å²	233	141.7 Å²	141.7	88%	0.879	76%	0.759	S	S	*	*			trans	55.9	104.1	160	-64.7	174.7	-177.1	175.8	1.5	118.6
187	H	39.4	Very low	40.7	Very low	187 Å²	187	142 Å²	142	87%	0.866	76%	0.759	S	S	*	*				-151.3	169.6	126.2	-108.3	75.9	0	0	0	109.9
188	S	33.4	Very low	42.3	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	74%	0.741	S	S	*	*			trans	-72.2	131.3	-168.5	54.9	0	0	0	0	114.6
189	V	33.9	Very low	43.8	Very low	136 Å²	136	135.6 Å²	135.6	82%	0.824	73%	0.726	S	S	*	*			trans	-133	141	171.2	-175	0	0	0	0	110.2
190	R	34.8	Very low	45.3	Very low	237 Å²	237	130.4 Å²	130.4	89%	0.894	71%	0.707	S	S	*	*			trans	-68.5	129.1	173	-76.1	177.9	173.4	152.3	-2.6	110	S192	R190-S192 VanDerWaalsContact C-N 3.32Å; R190-S192 PolarHBondContact O-N 3.06Å
191	V	30.2	Very low	47	Very low	132 Å²	132	130.1 Å²	130.1	80%	0.8	70%	0.704	S	S	*	*			trans	-76.9	84.3	170.1	-175.4	0	0	0	0	109.7	R193	V191-R193 PolarHBondContact O-N 2.85Å
192	S	40	Very low	48.2	Very low	105 Å²	105	124.7 Å²	124.7	73%	0.734	69%	0.687	S	S	*	*			trans	-65.5	112.5	154.8	49.4	0	0	0	0	107.8	R190 S194	R190-S192 VanDerWaalsContact C-N 3.32Å; R190-S192 PolarHBondContact O-N 3.06Å; S192-S194 PolarHBondContact O-N 2.94Å
193	R	37.8	Very low	49.6	Very low	236 Å²	236	124.6 Å²	124.6	89%	0.891	69%	0.686	S	S	*	*			trans	-66.7	97.8	175.6	-75	-179.3	173.1	170	-3.1	109.7	V191 L195	V191-R193 PolarHBondContact O-N 2.85Å; R193-L195 PolarHBondContact O-N 3.03Å
194	S	48	Very low	51.1	Low	112 Å²	112	121 Å²	121	78%	0.783	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-60.1	120.5	158.4	49.8	0	0	0	0	108.3	S192	S192-S194 PolarHBondContact O-N 2.94Å
195	L	52.9	Low	52.2	Low	143 Å²	143	122.5 Å²	122.5	75%	0.749	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-63.9	133.8	166.8	-83.1	151.2	0	0	0	108.5	R193	R193-L195 PolarHBondContact O-N 3.03Å
196	D	60.2	Low	53	Low	90 Å²	90	123 Å²	123	48%	0.481	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-63.9	129.7	178.9	-170.1	-54.2	0	0	0	109.7	S198 V199 A200	D196-S198 VanDerWaalsContact CG-OG 3.26Å; D196-S198 PolarHBondContact O-N 3.47Å; D196-S198 VanDerWaalsContact O-N 3.14Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.48Å; D196-S198 PolarHBondContact OD1-N 2.75Å; D196-S198 PolarHBondContact OD1-OG 2.74Å; D196-V199 HydrophobicContact CB-CB 4.41Å; D196-V199 HydrophobicContact CB-CG2 4.05Å; D196-V199 WeakPolarHBondContact O-CB 3.37Å; D196-V199 PolarHBondContact O-N 3.27Å; D196-A200 PolarHBondContact O-N 2.9Å; D196-A200 VanDerWaalsContact O-N 3.09Å
197	P	67.5	Low	54.5	Low	105 Å²	105	115.7 Å²	115.7	68%	0.682	66%	0.655	S	S	*	*	H	α-helix	trans	-55.1	-30	178.6	-27.4	35.8	0	0	0	114	A200 A201	P197-A200 PolarHBondContact O-N 2.77Å; P197-A201 WeakPolarHBondContact O-CB 3.43Å; P197-A201 PolarHBondContact O-N 3.28Å
198	S	68.6	Low	55.8	Low	74 Å²	74	110.9 Å²	110.9	52%	0.517	65%	0.648	S	S	.	*	H	α-helix	trans	-66.8	-35.7	175.1	66	0	0	0	0	112.7	D196 A201 A202	D196-S198 VanDerWaalsContact CG-OG 3.26Å; D196-S198 PolarHBondContact O-N 3.47Å; D196-S198 VanDerWaalsContact O-N 3.14Å; D196-S198 VanDerWaalsContact OD1-CB 3.3Å; D196-S198 WeakPolarHBondContact OD1-CB 3.48Å; D196-S198 PolarHBondContact OD1-N 2.75Å; D196-S198 PolarHBondContact OD1-OG 2.74Å; S198-A201 PolarHBondContact O-N 3.29Å; S198-A202 WeakPolarHBondContact O-CB 3.3Å; S198-A202 PolarHBondContact O-N 2.89Å
199	V	67.3	Low	57.1	Low	62 Å²	62	110 Å²	110	38%	0.376	63%	0.634	S	S	.	*	H	α-helix	trans	-72	-38.2	174.8	177.5	0	0	0	0	110.4	D196 A202 H203	D196-V199 HydrophobicContact CB-CB 4.41Å; D196-V199 HydrophobicContact CB-CG2 4.05Å; D196-V199 WeakPolarHBondContact O-CB 3.37Å; D196-V199 PolarHBondContact O-N 3.27Å; V199-A202 PolarHBondContact O-N 2.81Å; V199-H203 WeakPolarHBondContact O-CB 3.45Å; V199-H203 PolarHBondContact O-CD2 2.85Å; V199-H203 VanDerWaalsContact O-CD2 3.23Å; V199-H203 PolarHBondContact O-N 3.04Å
200	A	66.9	Low	58.4	Low	58 Å²	58	105.6 Å²	105.6	48%	0.479	62%	0.617	S	S	.	*	H	α-helix	trans	-62.6	-42.7	173.2	0	0	0	0	0	111.9	D196 P197 H203 A204	D196-A200 PolarHBondContact O-N 2.9Å; D196-A200 VanDerWaalsContact O-N 3.09Å; P197-A200 PolarHBondContact O-N 2.77Å; A200-H203 PolarHBondContact O-N 3.36Å; A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3Å
201	A	69.8	Low	59.4	Low	60 Å²	60	100.6 Å²	100.6	50%	0.496	62%	0.615	S	S	.	*	H	α-helix	trans	-62.8	-47.3	174.8	0	0	0	0	0	112.2	P197 S198 H203 A204 E205	P197-A201 WeakPolarHBondContact O-CB 3.43Å; P197-A201 PolarHBondContact O-N 3.28Å; S198-A201 PolarHBondContact O-N 3.29Å; A201-H203 VanDerWaalsContact C-N 3.3Å; A201-H203 PolarHBondContact O-N 2.94Å; A201-A204 WeakPolarHBondContact O-CB 3.12Å; A201-A204 PolarHBondContact O-N 3.27Å; A201-A204 VanDerWaalsContact O-N 3.09Å; A201-E205 PolarHBondContact O-N 3.35Å
202	A	64.4	Low	60.4	Low	47 Å²	47	103.2 Å²	103.2	39%	0.388	61%	0.61	S	S	.	*	H	α-helix	trans	-62	-35.2	177.1	0	0	0	0	0	113	S198 V199 M206	S198-A202 WeakPolarHBondContact O-CB 3.3Å; S198-A202 PolarHBondContact O-N 2.89Å; V199-A202 PolarHBondContact O-N 2.81Å; A202-M206 WeakPolarHBondContact O-CB 3.47Å; A202-M206 VanDerWaalsContact O-CG 3.3Å; A202-M206 WeakPolarHBondContact O-CG 3.46Å; A202-M206 PolarHBondContact O-N 2.97Å
203	H	65.8	Low	60.8	Low	140 Å²	140	103.3 Å²	103.3	65%	0.648	61%	0.608	S	S	*	*	H	α-helix	trans	-69.3	-37.6	172.2	-87.8	-113.7	0	0	0	112.6	V199 A200 A201 A207	V199-H203 WeakPolarHBondContact O-CB 3.45Å; V199-H203 PolarHBondContact O-CD2 2.85Å; V199-H203 VanDerWaalsContact O-CD2 3.23Å; V199-H203 PolarHBondContact O-N 3.04Å; A200-H203 PolarHBondContact O-N 3.36Å; A201-H203 VanDerWaalsContact C-N 3.3Å; A201-H203 PolarHBondContact O-N 2.94Å; H203-A207 WeakPolarHBondContact O-CB 3.38Å; H203-A207 PolarHBondContact O-N 3.03Å
204	A	69	Low	61.1	Low	60 Å²	60	98.7 Å²	98.7	50%	0.496	61%	0.606	S	S	.	*	H	α-helix	trans	-67.4	-41	175.4	0	0	0	0	0	111.9	A200 A201 A207 A208	A200-A204 WeakPolarHBondContact O-CB 3.43Å; A200-A204 PolarHBondContact O-N 3Å; A201-A204 WeakPolarHBondContact O-CB 3.12Å; A201-A204 PolarHBondContact O-N 3.27Å; A201-A204 VanDerWaalsContact O-N 3.09Å; A204-A207 PolarHBondContact O-N 2.92Å; A204-A207 VanDerWaalsContact O-N 3.16Å; A204-A208 WeakPolarHBondContact O-CB 3.27Å; A204-A208 PolarHBondContact O-N 2.98Å
205	E	67.5	Low	61.2	Low	134 Å²	134	99 Å²	99	63%	0.626	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-43.5	174.6	-170.4	178.2	-172.8	0	0	111.6	A201 A207 A208 L209	A201-E205 PolarHBondContact O-N 3.35Å; E205-A207 PolarHBondContact O-N 2.64Å; E205-A208 PolarHBondContact O-N 2.77Å; E205-L209 WeakPolarHBondContact O-CG 3.32Å; E205-L209 PolarHBondContact O-N 3.33Å
206	M	59.8	Low	61.4	Low	118 Å²	118	103.2 Å²	103.2	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-66.3	-18.5	173.4	-75.1	-73.2	154.7	0	0	114.2	A202 L209	A202-M206 WeakPolarHBondContact O-CB 3.47Å; A202-M206 VanDerWaalsContact O-CG 3.3Å; A202-M206 WeakPolarHBondContact O-CG 3.46Å; A202-M206 PolarHBondContact O-N 2.97Å; M206-L209 HydrophobicContact CE-CD1 4.27Å; M206-L209 HydrophobicContact SD-CD1 4.13Å
207	A	68.3	Low	61.7	Low	78 Å²	78	106.3 Å²	106.3	65%	0.645	63%	0.625	S	S	*	*	H	α-helix	trans	-90.8	-31.5	172.5	0	0	0	0	0	112.9	H203 A204 E205 L209	H203-A207 WeakPolarHBondContact O-CB 3.38Å; H203-A207 PolarHBondContact O-N 3.03Å; A204-A207 PolarHBondContact O-N 2.92Å; A204-A207 VanDerWaalsContact O-N 3.16Å; E205-A207 PolarHBondContact O-N 2.64Å; A207-L209 VanDerWaalsContact C-N 3.29Å
208	A	65.8	Low	62	Low	87 Å²	87	107.1 Å²	107.1	72%	0.719	62%	0.621	S	S	*	*	H	α-helix	trans	-69.5	-28.3	172	0	0	0	0	0	112	A204 E205 G210	A204-A208 WeakPolarHBondContact O-CB 3.27Å; A204-A208 PolarHBondContact O-N 2.98Å; E205-A208 PolarHBondContact O-N 2.77Å; A208-G210 PolarHBondContact O-N 3.07Å
209	L	59.9	Low	63	Low	95 Å²	95	111.6 Å²	111.6	50%	0.497	63%	0.631	S	S	.	*	S	Bend	trans	-66.1	79.8	159.3	-70.2	172.5	0	0	0	110	E205 M206 A207	E205-L209 WeakPolarHBondContact O-CG 3.32Å; E205-L209 PolarHBondContact O-N 3.33Å; M206-L209 HydrophobicContact CE-CD1 4.27Å; M206-L209 HydrophobicContact SD-CD1 4.13Å; A207-L209 VanDerWaalsContact C-N 3.29Å
210	G	61.6	Low	64.3	Low	45 Å²	45	110.6 Å²	110.6	46%	0.464	62%	0.622	S	S	.	*			trans	-50.5	160.8	174.4	0	0	0	0	0	112.9	A208 R212	A208-G210 PolarHBondContact O-N 3.07Å; G210-R212 PolarHBondContact O-N 2.9Å
211	P	56.7	Low	65.6	Low	132 Å²	132	109.1 Å²	109.1	86%	0.857	61%	0.607	S	S	*	*	S	Bend	trans	-47.6	110.3	-162.7	19.4	-33.6	0	0	0	111.4
212	R	51.3	Low	66.8	Low	186 Å²	186	109.2 Å²	109.2	70%	0.702	60%	0.599	S	S	*	*			trans	-48.4	125.7	-171.4	-68.2	-175.7	-176.6	-177.3	1.5	108.9	G210 T214	G210-R212 PolarHBondContact O-N 2.9Å; R212-T214 PolarHBondContact O-N 3.4Å
213	P	47	Very low	68	Low	107 Å²	107	109.3 Å²	109.3	70%	0.695	61%	0.605	S	S	*	*			trans	-56	121.1	-178.5	22.6	-32.8	0	0	0	108	T215	P213-T215 PolarHBondContact O-N 3.17Å
214	T	45.6	Very low	68.7	Low	139 Å²	139	107.3 Å²	107.3	85%	0.853	61%	0.606	S	S	*	*			trans	-73	76.7	-179.6	40.4	0	0	0	0	108.6	R212 R216	R212-T214 PolarHBondContact O-N 3.4Å; T214-R216 PolarHBondContact O-N 3Å
215	T	49.3	Very low	69.3	Low	118 Å²	118	114.3 Å²	114.3	72%	0.724	62%	0.62	S	S	*	*			trans	-58.7	89.3	170.8	35.2	0	0	0	0	108.2	P213 I217	P213-T215 PolarHBondContact O-N 3.17Å; T215-I217 VanDerWaalsContact C-N 3.31Å; T215-I217 PolarHBondContact O-N 2.66Å
216	R	57.3	Low	70.1	Confident	232 Å²	232	112.8 Å²	112.8	88%	0.875	61%	0.609	S	S	*	*			trans	-56.6	94.1	-179.7	-176.1	-178.6	-173	-176	3.3	107.9	T214 M218	T214-R216 PolarHBondContact O-N 3Å; R216-M218 PolarHBondContact O-N 2.79Å
217	I	66.7	Low	71.7	Confident	156 Å²	156	109.9 Å²	109.9	80%	0.8	59%	0.593	S	S	*	*			trans	-53.3	109.9	-173.2	-59.5	178.5	0	0	0	107.1	T215 K219	T215-I217 VanDerWaalsContact C-N 3.31Å; T215-I217 PolarHBondContact O-N 2.66Å; I217-K219 PolarHBondContact O-N 3.31Å
218	M	73.1	Confident	72.9	Confident	122 Å²	122	107.6 Å²	107.6	60%	0.601	57%	0.57	S	S	*	*			trans	-64.1	129.1	-175.1	-72.6	-169.2	-79.1	0	0	108.2	R216 E220 R301	R216-M218 PolarHBondContact O-N 2.79Å; M218-E220 PolarHBondContact O-N 2.94Å; M218-R301 PolarHBondContact SD-NH1 2.77Å; M218-R301 PolarHBondContact SD-NH2 2.74Å
219	K	89.7	Confident	74.4	Confident	167 Å²	167	103.5 Å²	103.5	73%	0.726	54%	0.535	S	S	*	.			trans	-55.2	113.9	172.8	-69.5	-176.9	179.2	177.5	0	108	I217 I230	I217-K219 PolarHBondContact O-N 3.31Å; K219-I230 HydrophobicContact CB-CD1 4.42Å; K219-I230 WeakPolarHBondContact O-CD1 3.31Å; K219-I230 VanDerWaalsContact O-CG1 3.27Å; K219-I230 WeakPolarHBondContact O-CG1 3.3Å
220	E	94.4	Very high	76.1	Confident	42 Å²	42	99.5 Å²	99.5	20%	0.196	51%	0.514	C	S	.	.	S	Bend	trans	-79.2	-10.7	175.7	-65.7	-174.3	167.7	0	0	112.1	M218 I230 I231 Y492 T496 N498	M218-E220 PolarHBondContact O-N 2.94Å; E220-I230 VanDerWaalsContact C-CG1 3.46Å; E220-I230 WeakPolarHBondContact O-CG1 3.5Å; E220-I230 PolarHBondContact O-N 3.17Å; E220-I231 HydrophobicContact CB-CD1 4Å; E220-I231 HydrophobicContact CB-CG1 3.78Å; E220-I231 HydrophobicContact CG-CD1 4.19Å; E220-I231 HydrophobicContact CG-CG1 4.08Å; E220-Y492 HydrophobicContact CB-CE2 3.81Å; E220-Y492 WeakPolarHBondContact OE2-CE2 3.47Å; E220-Y492 VanDerWaalsContact OE2-CZ 3.31Å; E220-Y492 PolarHBondContact OE2-OH 3.02Å; E220-T496 PolarHBondContact OE1-OG1 2.99Å; E220-T496 VanDerWaalsContact OE2-CB 3.32Å; E220-T496 WeakPolarHBondContact OE2-CB 3.22Å; E220-T496 PolarHBondContact OE2-OG1 3.27Å; E220-N498 PolarHBondContact OE1-ND2 3.47Å
221	T	95.2	Very high	77.8	Confident	27 Å²	27	98.2 Å²	98.2	17%	0.166	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.6	-175.7	60.1	0	0	0	0	113	K227 L228 Y492 C508	T221-K227 HydrophobicContact CG2-CB 4.29Å; T221-K227 HydrophobicContact CG2-CD 4.08Å; T221-L228 WeakPolarHBondContact CA-O 3.32Å; T221-L228 WeakPolarHBondContact CB-O 3.13Å; T221-Y492 HydrophobicContact CG2-CD2 3.93Å; T221-Y492 HydrophobicContact CG2-CE2 3.99Å; T221-C508 HydrophobicContact CG2-CB 3.5Å; T221-C508 VanDerWaalsContact CG2-CB 3.5Å
222	I	93.7	Very high	79.6	Confident	61 Å²	61	95 Å²	95	31%	0.313	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	161.3	164.1	61.9	179	0	0	0	111.2	K227 L228 I230 A298 C299	I222-K227 CarbonylContact O-C 3.29Å; I222-K227 VanDerWaalsContact O-CA 3.25Å; I222-K227 WeakPolarHBondContact O-CA 3.47Å; I222-L228 HydrophobicContact CD1-CD1 4.36Å; I222-L228 HydrophobicContact CG1-CB 4.04Å; I222-L228 HydrophobicContact CG1-CD1 4.41Å; I222-L228 PolarHBondContact N-O 3.11Å; I222-L228 VanDerWaalsContact N-O 3.13Å; I222-L228 PolarHBondContact O-N 2.85Å; I222-I230 HydrophobicContact CB-CG2 4.27Å; I222-I230 HydrophobicContact CD1-CG2 3.92Å; I222-I230 HydrophobicContact CG1-CG2 3.68Å; I222-I230 HydrophobicContact CG2-CD1 3.7Å; I222-I230 HydrophobicContact CG2-CG1 4.34Å; I222-I230 HydrophobicContact CG2-CG2 3.91Å; I222-A298 WeakPolarHBondContact CD1-O 3.45Å; I222-C299 HydrophobicContact CD1-CB 3.99Å
223	G	90.6	Very high	81.7	Confident	50 Å²	50	89.1 Å²	89.1	52%	0.515	45%	0.452	S	S	.	.			trans	94.1	144.3	-177.4	0	0	0	0	0	112.9
224	S	80.9	Confident	84.1	Confident	97 Å²	97	88 Å²	88	68%	0.678	43%	0.434	S	S	*	.	S	Bend	trans	-86.5	-66.3	178.6	49	0	0	0	0	111.2
225	W	80.4	Confident	86.6	Confident	208 Å²	208	81.5 Å²	81.5	79%	0.788	39%	0.394	S	S	*	.	S	Bend	trans	-75.7	-41.6	-176.5	-60.3	108.4	0	0	0	113.3	N507	W225-N507 PolarHBondContact O-ND2 2.94Å
226	R	84.6	Confident	89	Confident	102 Å²	102	80.5 Å²	80.5	39%	0.385	38%	0.384	S	S	.	.	S	Bend	trans	-127.8	112.6	177.4	-74.3	-179.5	170.5	163.8	-3.8	109.4	V479 N507	R226-V479 PolarHBondContact NH1-O 3.49Å; R226-V479 VanDerWaalsContact NH1-O 3.08Å; R226-V479 PolarHBondContact NH2-O 2.89Å; R226-N507 WeakPolarHBondContact CA-OD1 3.48Å
227	K	93	Very high	90.9	Very high	57 Å²	57	72.3 Å²	72.3	25%	0.248	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-85.1	124.5	-175.8	-66.9	-165.4	-174.1	174.7	0	111.6	T221 I222 N507 C508 T509	T221-K227 HydrophobicContact CG2-CB 4.29Å; T221-K227 HydrophobicContact CG2-CD 4.08Å; I222-K227 CarbonylContact O-C 3.29Å; I222-K227 VanDerWaalsContact O-CA 3.25Å; I222-K227 WeakPolarHBondContact O-CA 3.47Å; K227-N507 WeakPolarHBondContact CD-O 3.13Å; K227-N507 PolarHBondContact N-OD1 3.24Å; K227-C508 HydrophobicContact CB-CB 3.82Å; K227-C508 HydrophobicContact CD-CB 4.29Å; K227-C508 PolarHBondContact O-SG 3.49Å; K227-T509 PolarHBondContact NZ-OG1 3.31Å
228	L	94.9	Very high	92.4	Very high	30 Å²	30	67.7 Å²	67.7	16%	0.157	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	144.9	167	-50.4	178.5	0	0	0	109.3	T221 I222 A298 W484 K485 Q488	T221-L228 WeakPolarHBondContact CA-O 3.32Å; T221-L228 WeakPolarHBondContact CB-O 3.13Å; I222-L228 HydrophobicContact CD1-CD1 4.36Å; I222-L228 HydrophobicContact CG1-CB 4.04Å; I222-L228 HydrophobicContact CG1-CD1 4.41Å; I222-L228 PolarHBondContact N-O 3.11Å; I222-L228 VanDerWaalsContact N-O 3.13Å; I222-L228 PolarHBondContact O-N 2.85Å; L228-A298 HydrophobicContact CB-CB 3.96Å; L228-A298 HydrophobicContact CD1-CB 4.24Å; L228-W484 HydrophobicContact CD1-CH2 3.99Å; L228-W484 HydrophobicContact CD1-CZ3 4.45Å; L228-W484 HydrophobicContact CD2-CH2 4.16Å; L228-W484 HydrophobicContact CD2-CZ3 4.17Å; L228-K485 HydrophobicContact CD2-CG 4.29Å; L228-Q488 HydrophobicContact CD2-CG 3.89Å
229	C	96.1	Very high	93.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.6	174.2	-175.4	0	0	0	0	109.7	A298	C229-A298 WeakPolarHBondContact O-CB 3.24Å
230	I	96.4	Very high	94.1	Very high	11 Å²	11	55 Å²	55	6%	0.056	29%	0.289	C	S	.	.			trans	-118.2	17	177.2	67.7	158.2	0	0	0	113.5	K219 E220 I222 N232 A298 C299 R301 V302	K219-I230 HydrophobicContact CB-CD1 4.42Å; K219-I230 WeakPolarHBondContact O-CD1 3.31Å; K219-I230 VanDerWaalsContact O-CG1 3.27Å; K219-I230 WeakPolarHBondContact O-CG1 3.3Å; E220-I230 VanDerWaalsContact C-CG1 3.46Å; E220-I230 WeakPolarHBondContact O-CG1 3.5Å; E220-I230 PolarHBondContact O-N 3.17Å; I222-I230 HydrophobicContact CB-CG2 4.27Å; I222-I230 HydrophobicContact CD1-CG2 3.92Å; I222-I230 HydrophobicContact CG1-CG2 3.68Å; I222-I230 HydrophobicContact CG2-CD1 3.7Å; I222-I230 HydrophobicContact CG2-CG1 4.34Å; I222-I230 HydrophobicContact CG2-CG2 3.91Å; I230-N232 PolarHBondContact O-N 2.67Å; I230-A298 HydrophobicContact CG2-CB 4.3Å; I230-C299 WeakPolarHBondContact CG2-SG 3.46Å; I230-R301 VanDerWaalsContact O-CD 3.32Å; I230-R301 WeakPolarHBondContact O-CD 3.49Å; I230-R301 PolarHBondContact O-NE 2.7Å; I230-V302 VanDerWaalsContact C-CG1 3.45Å; I230-V302 VanDerWaalsContact CA-CG1 3.5Å; I230-V302 HydrophobicContact CB-CG1 4.29Å; I230-V302 WeakPolarHBondContact O-CG1 3.42Å
231	I	96.5	Very high	94.3	Very high	18 Å²	18	53 Å²	53	9%	0.092	28%	0.279	C	S	.	.			trans	-68.2	120.1	174.2	-53.5	175.6	0	0	0	108.2	E220 K233 R260 Y492 L495	E220-I231 HydrophobicContact CB-CD1 4Å; E220-I231 HydrophobicContact CB-CG1 3.78Å; E220-I231 HydrophobicContact CG-CD1 4.19Å; E220-I231 HydrophobicContact CG-CG1 4.08Å; I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 HydrophobicContact CG2-CB 3.86Å; I231-K233 PolarHBondContact O-N 2.86Å; I231-R260 VanDerWaalsContact O-CZ 3.29Å; I231-R260 PolarHBondContact O-NH1 3.37Å; I231-R260 PolarHBondContact O-NH2 2.71Å; I231-Y492 HydrophobicContact CD1-CD2 4.03Å; I231-Y492 HydrophobicContact CD1-CE2 4.16Å; I231-L495 HydrophobicContact CB-CB 4.04Å; I231-L495 HydrophobicContact CD1-CB 3.99Å; I231-L495 HydrophobicContact CG2-CB 3.94Å
232	N	95.2	Very high	94.5	Very high	65 Å²	65	51.8 Å²	51.8	35%	0.348	27%	0.272	S	S	.	.			trans	-96	34.3	-176.8	60.6	-54.7	0	0	0	112.6	I230 R301 S305	I230-N232 PolarHBondContact O-N 2.67Å; N232-R301 HydrophobicContact CB-CG 4.4Å; N232-R301 WeakPolarHBondContact CB-O 3.19Å; N232-R301 PolarHBondContact OD1-NE 3.16Å; N232-R301 PolarHBondContact OD1-NH2 3Å; N232-S305 VanDerWaalsContact O-CB 3.3Å; N232-S305 WeakPolarHBondContact O-CB 3.5Å
233	K	96	Very high	94.7	Very high	62 Å²	62	48.9 Å²	48.9	27%	0.27	26%	0.257	S	S	.	.			trans	-76.8	133.8	179	176.4	169.1	175.8	175.3	0	111.4	I231 R260 L495 E497	I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 HydrophobicContact CG2-CB 3.86Å; I231-K233 PolarHBondContact O-N 2.86Å; K233-R260 PolarHBondContact O-NH1 3.12Å; K233-L495 HydrophobicContact CB-CD2 4.23Å; K233-L495 HydrophobicContact CG-CD2 4.49Å; K233-E497 IonicContact NZ-OE1 3.93Å; K233-E497 PolarHBondContact NZ-OE1 3.12Å; K233-E497 IonicContact NZ-OE2 2.8Å; K233-E497 PolarHBondContact NZ-OE2 3.24Å
234	R	97.8	Very high	94.9	Very high	83 Å²	83	47.4 Å²	47.4	31%	0.313	24%	0.242	S	C	.	.			trans	-83	157.8	167.4	-73.3	-62.9	-64.7	-179.3	-2.1	111.3	D236 R259 R260 G261 S305	R234-D236 WeakPolarHBondContact CB-OD2 3.2Å; R234-D236 IonicContact CZ-OD1 3.23Å; R234-D236 IonicContact CZ-OD2 3.44Å; R234-D236 IonicContact NE-OD1 2.75Å; R234-D236 IonicContact NE-OD2 3.7Å; R234-D236 PolarHBondContact NE-OD2 2.81Å; R234-D236 IonicContact NH2-OD1 2.69Å; R234-D236 PolarHBondContact NH2-OD1 2.65Å; R234-D236 IonicContact NH2-OD2 2.79Å; R234-D236 PolarHBondContact NH2-OD2 2.94Å; R234-R259 PolarHBondContact NH1-O 2.85Å; R234-R260 PolarHBondContact NE-O 3.26Å; R234-G261 VanDerWaalsContact NH2-CA 3.33Å; R234-S305 VanDerWaalsContact CD-O 3.31Å; R234-S305 WeakPolarHBondContact CD-O 3.4Å; R234-S305 PolarHBondContact NH1-O 3.44Å
235	L	98.2	Very high	95.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.21	C	C	.	.			trans	-133.5	24.8	-176.4	-61.5	178.2	0	0	0	111.8	G237 K238 L257 R260 G261 A262 F343 L495	L235-G237 PolarHBondContact O-N 3.11Å; L235-K238 HydrophobicContact CB-CB 4.26Å; L235-K238 HydrophobicContact CB-CG 4.34Å; L235-K238 HydrophobicContact CD2-CG 4.48Å; L235-K238 WeakPolarHBondContact O-CB 3.38Å; L235-K238 WeakPolarHBondContact O-CG 3.41Å; L235-K238 PolarHBondContact O-N 3.5Å; L235-L257 HydrophobicContact CD1-CB 4.45Å; L235-L257 HydrophobicContact CD1-CD2 3.38Å; L235-R260 HydrophobicContact CB-CB 4.32Å; L235-R260 HydrophobicContact CD1-CB 4.14Å; L235-R260 HydrophobicContact CG-CB 4.16Å; L235-R260 PolarHBondContact N-O 3.16Å; L235-G261 CarbonylContact O-C 3.58Å; L235-A262 HydrophobicContact CB-CB 3.96Å; L235-A262 HydrophobicContact CD1-CB 4.38Å; L235-A262 WeakPolarHBondContact O-CA 3.39Å; L235-A262 PolarHBondContact O-N 3.16Å; L235-F343 HydrophobicContact CD2-CE2 4.04Å; L235-F343 HydrophobicContact CD2-CZ 3.83Å; L235-L495 HydrophobicContact CD1-CD2 4.01Å; L235-L495 HydrophobicContact CD2-CD2 4.2Å; L235-L495 HydrophobicContact CG-CD2 4.2Å
236	D	98	Very high	96.4	Very high	96 Å²	96	34.6 Å²	34.6	51%	0.513	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	135.4	176.4	-58.6	-76.3	0	0	0	111.3	R234 K238	R234-D236 WeakPolarHBondContact CB-OD2 3.2Å; R234-D236 IonicContact CZ-OD1 3.23Å; R234-D236 IonicContact CZ-OD2 3.44Å; R234-D236 IonicContact NE-OD1 2.75Å; R234-D236 IonicContact NE-OD2 3.7Å; R234-D236 PolarHBondContact NE-OD2 2.81Å; R234-D236 IonicContact NH2-OD1 2.69Å; R234-D236 PolarHBondContact NH2-OD1 2.65Å; R234-D236 IonicContact NH2-OD2 2.79Å; R234-D236 PolarHBondContact NH2-OD2 2.94Å; D236-K238 PolarHBondContact O-N 3.21Å
237	G	97.4	Very high	96.8	Very high	61 Å²	61	32.5 Å²	32.5	63%	0.629	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	8.4	-176.2	0	0	0	0	0	115.4	L235 K340	L235-G237 PolarHBondContact O-N 3.11Å; G237-K340 PolarHBondContact O-NZ 3.11Å
238	K	98.6	Very high	96.8	Very high	58 Å²	58	30.7 Å²	30.7	25%	0.252	18%	0.177	S	C	.	.			trans	-95.9	143.2	172.8	-60.5	-64.3	-166.5	173.8	0	111.5	L235 D236 A262 T263 D342 F343	L235-K238 HydrophobicContact CB-CB 4.26Å; L235-K238 HydrophobicContact CB-CG 4.34Å; L235-K238 HydrophobicContact CD2-CG 4.48Å; L235-K238 WeakPolarHBondContact O-CB 3.38Å; L235-K238 WeakPolarHBondContact O-CG 3.41Å; L235-K238 PolarHBondContact O-N 3.5Å; D236-K238 PolarHBondContact O-N 3.21Å; K238-A262 CarbonylContact O-C 3.58Å; K238-A262 WeakPolarHBondContact O-CA 3.31Å; K238-T263 PolarHBondContact O-N 3.45Å; K238-D342 WeakPolarHBondContact CA-OD2 3.44Å; K238-D342 HydrophobicContact CB-CB 4.2Å; K238-D342 HydrophobicContact CD-CB 3.73Å; K238-D342 WeakPolarHBondContact CD-OD1 3.11Å; K238-D342 WeakPolarHBondContact CE-OD1 3.48Å; K238-D342 IonicContact NZ-OD1 3.43Å; K238-D342 PolarHBondContact NZ-OD1 3.03Å; K238-F343 HydrophobicContact CB-CD2 4.5Å; K238-F343 HydrophobicContact CB-CE2 3.95Å; K238-F343 HydrophobicContact CG-CE2 4.23Å
239	I	98.8	Very high	96.7	Very high	24 Å²	24	30 Å²	30	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.1	178.9	-49.8	-178.8	0	0	0	109.6	T263 I265 Y338 I341 D342 F343	I239-T263 WeakPolarHBondContact CA-O 3.26Å; I239-I265 HydrophobicContact CG2-CD1 3.67Å; I239-I265 HydrophobicContact CG2-CG1 4.26Å; I239-Y338 HydrophobicContact CD1-CD1 3.71Å; I239-Y338 HydrophobicContact CD1-CE1 4.25Å; I239-I341 HydrophobicContact CB-CD1 4.38Å; I239-I341 HydrophobicContact CG2-CD1 3.73Å; I239-D342 PolarHBondContact N-OD2 2.72Å; I239-D342 PolarHBondContact O-N 2.72Å; I239-F343 PolarHBondContact O-N 3.48Å; I239-F343 VanDerWaalsContact O-N 3.09Å
240	A	98.9	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	-179.6	0	0	0	0	0	111.9	T263 I264 I265 F343	A240-T263 PolarHBondContact N-O 2.76Å; A240-I264 HydrophobicContact CB-CD1 3.94Å; A240-I264 WeakPolarHBondContact O-CA 3.41Å; A240-I265 PolarHBondContact O-N 2.94Å; A240-F343 CarbonylContact C-O 3.57Å; A240-F343 WeakPolarHBondContact CA-O 3.36Å; A240-F343 HydrophobicContact CB-CB 3.85Å; A240-F343 HydrophobicContact CB-CD2 4.23Å; A240-F343 HydrophobicContact CB-CG 4.43Å
241	I	98.9	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.6	166.1	-63.3	171.3	0	0	0	107.9	T243 I265 A267 F330 I334 I341 F343 L344 I345 L380	I241-T243 HydrophobicContact CG2-CG2 4.47Å; I241-I265 HydrophobicContact CD1-CD1 4.41Å; I241-I265 HydrophobicContact CG1-CB 3.92Å; I241-I265 HydrophobicContact CG1-CD1 3.76Å; I241-I265 HydrophobicContact CG1-CG1 4.44Å; I241-I265 HydrophobicContact CG1-CG2 4.13Å; I241-A267 HydrophobicContact CG2-CB 3.97Å; I241-F330 HydrophobicContact CD1-CE1 4.3Å; I241-F330 HydrophobicContact CD1-CZ 4.29Å; I241-F330 HydrophobicContact CG2-CZ 4Å; I241-I334 HydrophobicContact CD1-CG2 4.23Å; I241-I341 HydrophobicContact CD1-CD1 3.95Å; I241-I341 HydrophobicContact CD1-CG1 4.02Å; I241-I341 HydrophobicContact CD1-CG2 4Å; I241-I341 HydrophobicContact CG1-CD1 4.14Å; I241-I341 HydrophobicContact CG1-CG2 4.1Å; I241-F343 PolarHBondContact N-O 2.87Å; I241-L344 HydrophobicContact CB-CD1 3.96Å; I241-L344 HydrophobicContact CG2-CD1 3.84Å; I241-I345 PolarHBondContact O-N 2.91Å; I241-L380 HydrophobicContact CD1-CD1 3.7Å; I241-L380 HydrophobicContact CD1-CD2 4.2Å
242	V	98.8	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	112.3	174.6	-169.5	0	0	0	0	109	C245 L257 I264 I265 A267 I345 N347	V242-C245 HydrophobicContact CB-CB 4.03Å; V242-C245 HydrophobicContact CG1-CB 3.77Å; V242-L257 HydrophobicContact CG2-CD1 4.45Å; V242-I264 HydrophobicContact CG2-CG2 4.11Å; V242-I265 PolarHBondContact N-O 2.88Å; V242-I265 VanDerWaalsContact N-O 3.12Å; V242-A267 PolarHBondContact O-N 3.2Å; V242-I345 HydrophobicContact CG1-CB 4.32Å; V242-I345 HydrophobicContact CG1-CG2 4.42Å; V242-I345 HydrophobicContact CG2-CB 4.34Å; V242-I345 HydrophobicContact CG2-CD1 4.25Å; V242-N347 HydrophobicContact CG1-CB 4.33Å
243	T	98.7	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.4	-178.4	63.5	0	0	0	0	111.2	I241 C245 A267 L319 I345 N347 A348 L376	I241-T243 HydrophobicContact CG2-CG2 4.47Å; T243-C245 VanDerWaalsContact C-N 3.35Å; T243-C245 PolarHBondContact O-N 2.85Å; T243-A267 WeakPolarHBondContact CA-O 3.39Å; T243-A267 HydrophobicContact CG2-CB 4.37Å; T243-L319 HydrophobicContact CG2-CD2 3.81Å; T243-I345 PolarHBondContact N-O 3.47Å; T243-I345 PolarHBondContact OG1-O 3.15Å; T243-N347 WeakPolarHBondContact O-CB 3.41Å; T243-N347 PolarHBondContact O-ND2 2.78Å; T243-N347 PolarHBondContact OG1-N 3.42Å; T243-N347 VanDerWaalsContact OG1-N 3.1Å; T243-A348 PolarHBondContact O-N 3.12Å; T243-A348 VanDerWaalsContact O-N 3.09Å; T243-A348 WeakPolarHBondContact OG1-CB 3.25Å; T243-A348 PolarHBondContact OG1-N 2.94Å; T243-L376 HydrophobicContact CG2-CD2 3.69Å
244	G	95.9	Very high	97.1	Very high	20 Å²	20	24.4 Å²	24.4	21%	0.206	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	31.6	176.7	0	0	0	0	0	114.3	N246 A267	G244-N246 PolarHBondContact O-N 3.24Å; G244-A267 PolarHBondContact N-O 2.92Å
245	C	96.5	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	7.4	-177.7	71	0	0	0	0	114.8	V242 T243 T247 G250 F251 A254 M266	V242-C245 HydrophobicContact CB-CB 4.03Å; V242-C245 HydrophobicContact CG1-CB 3.77Å; T243-C245 VanDerWaalsContact C-N 3.35Å; T243-C245 PolarHBondContact O-N 2.85Å; C245-T247 PolarHBondContact O-N 3.05Å; C245-G250 WeakPolarHBondContact CB-O 3.47Å; C245-F251 VanDerWaalsContact O-CA 3.28Å; C245-F251 WeakPolarHBondContact O-CA 3Å; C245-F251 PolarHBondContact O-N 2.71Å; C245-A254 HydrophobicContact CB-CB 3.97Å; C245-M266 WeakPolarHBondContact SG-CA 3.45Å; C245-M266 WeakPolarHBondContact SG-CB 3.48Å
246	N	95.2	Very high	97.1	Very high	35 Å²	35	20.3 Å²	20.3	19%	0.187	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	0.2	177.4	73.3	-87.6	0	0	0	113.8	G244 A277	G244-N246 PolarHBondContact O-N 3.24Å; N246-A277 HydrophobicContact CB-CB 3.95Å
247	T	93.5	Very high	97.1	Very high	59 Å²	59	15.7 Å²	15.7	36%	0.362	11%	0.105	S	C	.	.	S	Bend	trans	-164.8	172.4	176.6	-166.4	0	0	0	0	111.2	C245 F251	C245-T247 PolarHBondContact O-N 3.05Å; T247-F251 PolarHBondContact O-N 3.45Å; T247-F251 VanDerWaalsContact O-N 3.17Å
248	G	92.2	Very high	97.2	Very high	18 Å²	18	12.9 Å²	12.9	19%	0.186	8%	0.075	C	C	.	.	H	α-helix	trans	59.4	-145.8	165.8	0	0	0	0	0	115	G250 F251 H252	G248-G250 PolarHBondContact O-N 2.76Å; G248-F251 WeakPolarHBondContact O-CB 3.03Å; G248-F251 PolarHBondContact O-N 3.26Å; G248-F251 VanDerWaalsContact O-N 3.13Å; G248-H252 PolarHBondContact O-CD2 2.78Å; G248-H252 PolarHBondContact O-N 2.94Å
249	I	93.9	Very high	97.2	Very high	17 Å²	17	10.1 Å²	10.1	9%	0.087	6%	0.064	C	C	.	.	H	α-helix	trans	-56.2	-40	-178.8	-65.8	152.4	0	0	0	111.4	F251 H252 T253 P453 T456 T458 A487	I249-F251 VanDerWaalsContact C-N 3.32Å; I249-F251 PolarHBondContact O-N 3.45Å; I249-H252 PolarHBondContact O-N 3.48Å; I249-T253 WeakPolarHBondContact O-CB 3.19Å; I249-T253 PolarHBondContact O-N 2.69Å; I249-T253 PolarHBondContact O-OG1 3.39Å; I249-P453 HydrophobicContact CD1-CB 3.65Å; I249-P453 HydrophobicContact CD1-CG 3.59Å; I249-P453 HydrophobicContact CG1-CB 4.32Å; I249-P453 HydrophobicContact CG2-CB 4.4Å; I249-T456 HydrophobicContact CD1-CG2 4.1Å; I249-T456 HydrophobicContact CG1-CG2 4.14Å; I249-T458 HydrophobicContact CD1-CG2 4.49Å; I249-A487 HydrophobicContact CG2-CB 4.39Å
250	G	96.4	Very high	97.1	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-35.5	179.2	0	0	0	0	0	113.2	C245 G248 T253 A254 N347	C245-G250 WeakPolarHBondContact CB-O 3.47Å; G248-G250 PolarHBondContact O-N 2.76Å; G250-T253 PolarHBondContact O-N 2.82Å; G250-A254 VanDerWaalsContact O-CB 3.3Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 2.93Å; G250-N347 VanDerWaalsContact CA-ND2 3.34Å; G250-N347 WeakPolarHBondContact CA-ND2 3.3Å; G250-N347 WeakPolarHBondContact CA-OD1 3.39Å; G250-N347 PolarHBondContact N-OD1 2.93Å
251	F	97.4	Very high	97.1	Very high	11 Å²	11	9.5 Å²	9.5	5%	0.048	6%	0.063	C	C	.	.	H	α-helix	trans	-62.9	-50	176.9	177.3	-88.6	0	0	0	111.9	C245 T247 G248 I249 A254 S255 A277 H280 L281 M284 Y285	C245-F251 VanDerWaalsContact O-CA 3.28Å; C245-F251 WeakPolarHBondContact O-CA 3Å; C245-F251 PolarHBondContact O-N 2.71Å; T247-F251 PolarHBondContact O-N 3.45Å; T247-F251 VanDerWaalsContact O-N 3.17Å; G248-F251 WeakPolarHBondContact O-CB 3.03Å; G248-F251 PolarHBondContact O-N 3.26Å; G248-F251 VanDerWaalsContact O-N 3.13Å; I249-F251 VanDerWaalsContact C-N 3.32Å; I249-F251 PolarHBondContact O-N 3.45Å; F251-A254 PolarHBondContact O-N 3Å; F251-S255 WeakPolarHBondContact O-CB 3.42Å; F251-S255 PolarHBondContact O-N 3.1Å; F251-A277 HydrophobicContact CD2-CB 4.28Å; F251-A277 HydrophobicContact CE2-CB 4.41Å; F251-H280 HydrophobicContact CE2-CB 4.33Å; F251-H280 AromaticContact CE2-ND1 3.67Å; F251-H280 HydrophobicContact CZ-CB 4.38Å; F251-H280 AromaticContact CZ-CE1 3.96Å; F251-H280 AromaticContact CZ-ND1 3.24Å; F251-H280 WeakPolarHBondContact CZ-ND1 3.49Å; F251-L281 HydrophobicContact CD1-CD2 4.29Å; F251-L281 HydrophobicContact CD2-CD2 4.02Å; F251-L281 HydrophobicContact CD2-CG 4.07Å; F251-L281 HydrophobicContact CE1-CD2 3.93Å; F251-L281 HydrophobicContact CE2-CD1 4.49Å; F251-L281 HydrophobicContact CE2-CD2 3.65Å; F251-L281 HydrophobicContact CE2-CG 3.56Å; F251-L281 HydrophobicContact CG-CD2 4.33Å; F251-L281 HydrophobicContact CZ-CD2 3.58Å; F251-L281 HydrophobicContact CZ-CG 3.89Å; F251-M284 HydrophobicContact CE1-SD 3.93Å; F251-M284 HydrophobicContact CZ-SD 4.05Å; F251-Y285 HydrophobicContact CE1-CE2 4.17Å
252	H	97.3	Very high	97.1	Very high	26 Å²	26	9.5 Å²	9.5	12%	0.12	6%	0.063	C	C	.	.	H	α-helix	trans	-74.9	-26.4	178.2	-61.2	-95.2	0	0	0	112.8	G248 I249 S255 E256 D296 W484 A487	G248-H252 PolarHBondContact O-CD2 2.78Å; G248-H252 PolarHBondContact O-N 2.94Å; I249-H252 PolarHBondContact O-N 3.48Å; H252-S255 WeakPolarHBondContact CA-OG 3.49Å; H252-S255 PolarHBondContact O-OG 2.92Å; H252-E256 PolarHBondContact O-N 2.84Å; H252-E256 VanDerWaalsContact O-N 3.1Å; H252-D296 IonicContact CE1-OD2 2.68Å; H252-D296 PolarHBondContact CE1-OD2 3.3Å; H252-D296 IonicContact ND1-OD2 3.49Å; H252-D296 PolarHBondContact ND1-OD2 3.03Å; H252-W484 HydrophobicContact CB-CB 4.37Å; H252-W484 PolarHBondContact CD2-N 3.35Å; H252-W484 AromaticContact ND1-CD1 3.94Å; H252-A487 HydrophobicContact CB-CB 3.95Å
253	T	98.3	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-48	169.6	-56.8	0	0	0	0	110.1	I249 G250 L257 I345 T490	I249-T253 WeakPolarHBondContact O-CB 3.19Å; I249-T253 PolarHBondContact O-N 2.69Å; I249-T253 PolarHBondContact O-OG1 3.39Å; G250-T253 PolarHBondContact O-N 2.82Å; T253-L257 HydrophobicContact CG2-CD1 3.88Å; T253-L257 WeakPolarHBondContact O-CB 3.15Å; T253-L257 WeakPolarHBondContact O-CD1 3.33Å; T253-L257 WeakPolarHBondContact O-CG 3.28Å; T253-L257 PolarHBondContact O-N 2.87Å; T253-I345 HydrophobicContact CG2-CD1 3.77Å; T253-I345 HydrophobicContact CG2-CG2 4.5Å; T253-T490 HydrophobicContact CG2-CG2 3.72Å
254	A	98.6	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-42.1	175.3	0	0	0	0	0	112.2	C245 G250 F251 A258 I264	C245-A254 HydrophobicContact CB-CB 3.97Å; G250-A254 VanDerWaalsContact O-CB 3.3Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 2.93Å; F251-A254 PolarHBondContact O-N 3Å; A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.16Å; A254-A258 PolarHBondContact O-N 3.4Å; A254-I264 HydrophobicContact CB-CG2 4.01Å
255	S	98	Very high	97.2	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.8	-47.8	-178.7	81.1	0	0	0	0	112.2	F251 H252 A258 R259 Y285	F251-S255 WeakPolarHBondContact O-CB 3.42Å; F251-S255 PolarHBondContact O-N 3.1Å; H252-S255 WeakPolarHBondContact CA-OG 3.49Å; H252-S255 PolarHBondContact O-OG 2.92Å; S255-A258 PolarHBondContact O-N 3.16Å; S255-R259 WeakPolarHBondContact O-CB 3.37Å; S255-R259 WeakPolarHBondContact O-CD 3.5Å; S255-R259 WeakPolarHBondContact O-CG 3.47Å; S255-R259 PolarHBondContact O-N 3.29Å; S255-Y285 VanDerWaalsContact CB-CE2 3.47Å
256	E	98.2	Very high	97.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-73.7	-34.8	-176.4	-152.2	-169.5	108.9	0	0	112	H252 R259 R260 L306 Q488 L491	H252-E256 PolarHBondContact O-N 2.84Å; H252-E256 VanDerWaalsContact O-N 3.1Å; E256-R259 PolarHBondContact O-N 2.98Å; E256-R260 WeakPolarHBondContact O-CB 3.31Å; E256-R260 WeakPolarHBondContact O-CD 3.41Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 3.42Å; E256-R260 IonicContact OE1-CZ 2.77Å; E256-R260 IonicContact OE1-NE 2.71Å; E256-R260 PolarHBondContact OE1-NE 2.88Å; E256-R260 IonicContact OE1-NH2 3.33Å; E256-R260 PolarHBondContact OE1-NH2 2.77Å; E256-L306 HydrophobicContact CG-CD2 3.59Å; E256-Q488 PolarHBondContact OE2-NE2 3.2Å; E256-L491 HydrophobicContact CB-CD1 3.95Å; E256-L491 HydrophobicContact CB-CD2 3.82Å; E256-L491 HydrophobicContact CG-CD1 4.4Å; E256-L491 WeakPolarHBondContact OE2-CD1 3.45Å
257	L	98.6	Very high	97.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-64.5	-40.4	172.7	-65.4	172.4	0	0	0	111.9	L235 V242 T253 R260 G261 A262 I264 I345 L491 A494	L235-L257 HydrophobicContact CD1-CB 4.45Å; L235-L257 HydrophobicContact CD1-CD2 3.38Å; V242-L257 HydrophobicContact CG2-CD1 4.45Å; T253-L257 HydrophobicContact CG2-CD1 3.88Å; T253-L257 WeakPolarHBondContact O-CB 3.15Å; T253-L257 WeakPolarHBondContact O-CD1 3.33Å; T253-L257 WeakPolarHBondContact O-CG 3.28Å; T253-L257 PolarHBondContact O-N 2.87Å; L257-R260 PolarHBondContact O-N 2.71Å; L257-G261 PolarHBondContact O-N 2.9Å; L257-A262 HydrophobicContact CB-CB 4.49Å; L257-A262 WeakPolarHBondContact O-CB 3.38Å; L257-A262 PolarHBondContact O-N 3.02Å; L257-A262 VanDerWaalsContact O-N 3.11Å; L257-I264 HydrophobicContact CB-CD1 3.64Å; L257-I345 HydrophobicContact CD1-CD1 3.57Å; L257-L491 HydrophobicContact CD2-CD2 4.06Å; L257-L491 HydrophobicContact CG-CD2 3.98Å; L257-A494 HydrophobicContact CD2-CB 3.99Å
258	A	98.6	Very high	97.7	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.008	4%	0.04	C	C	.	.	H	α-helix	trans	-65.5	-46.3	173.7	0	0	0	0	0	112	A254 S255 R260 G261 I264 I309 Q313 L314	A254-A258 VanDerWaalsContact O-CB 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.16Å; A254-A258 PolarHBondContact O-N 3.4Å; S255-A258 PolarHBondContact O-N 3.16Å; A258-R260 PolarHBondContact O-N 2.85Å; A258-R260 VanDerWaalsContact O-N 3.16Å; A258-G261 PolarHBondContact O-N 3.2Å; A258-I264 HydrophobicContact CB-CG1 3.78Å; A258-I309 HydrophobicContact CB-CD1 3.74Å; A258-I309 HydrophobicContact CB-CG1 3.89Å; A258-I309 HydrophobicContact CB-CG2 4Å; A258-Q313 PolarHBondContact O-NE2 3.18Å; A258-L314 HydrophobicContact CB-CD2 4.01Å
259	R	98.1	Very high	98	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-57.6	-29.4	174.1	-70.1	164.7	82.6	-161	9.2	111.9	R234 S255 E256 G261 S292 T295 D296 L306 K307 I309	R234-R259 PolarHBondContact NH1-O 2.85Å; S255-R259 WeakPolarHBondContact O-CB 3.37Å; S255-R259 WeakPolarHBondContact O-CD 3.5Å; S255-R259 WeakPolarHBondContact O-CG 3.47Å; S255-R259 PolarHBondContact O-N 3.29Å; E256-R259 PolarHBondContact O-N 2.98Å; R259-G261 VanDerWaalsContact C-N 3.31Å; R259-S292 PolarHBondContact NE-O 2.86Å; R259-S292 PolarHBondContact NH2-O 2.82Å; R259-T295 VanDerWaalsContact CZ-O 3.27Å; R259-T295 PolarHBondContact NH1-O 3.47Å; R259-T295 VanDerWaalsContact NH1-O 3.11Å; R259-T295 PolarHBondContact NH2-O 2.76Å; R259-D296 PolarHBondContact NH1-O 2.85Å; R259-L306 HydrophobicContact CB-CB 4.44Å; R259-L306 HydrophobicContact CB-CD2 3.81Å; R259-K307 VanDerWaalsContact CA-O 3.29Å; R259-K307 WeakPolarHBondContact CA-O 3.37Å; R259-K307 WeakPolarHBondContact CB-O 3.44Å; R259-K307 WeakPolarHBondContact CG-O 3.29Å; R259-K307 PolarHBondContact O-N 2.79Å; R259-I309 HydrophobicContact CG-CD1 4.07Å; R259-I309 HydrophobicContact CG-CG1 3.74Å
260	R	98.1	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	0.8	174.3	-70.4	165.4	-178.7	-83.6	4.6	114.7	I231 K233 R234 L235 E256 L257 A258 S305 L306	I231-R260 VanDerWaalsContact O-CZ 3.29Å; I231-R260 PolarHBondContact O-NH1 3.37Å; I231-R260 PolarHBondContact O-NH2 2.71Å; K233-R260 PolarHBondContact O-NH1 3.12Å; R234-R260 PolarHBondContact NE-O 3.26Å; L235-R260 HydrophobicContact CB-CB 4.32Å; L235-R260 HydrophobicContact CD1-CB 4.14Å; L235-R260 HydrophobicContact CG-CB 4.16Å; L235-R260 PolarHBondContact N-O 3.16Å; E256-R260 WeakPolarHBondContact O-CB 3.31Å; E256-R260 WeakPolarHBondContact O-CD 3.41Å; E256-R260 WeakPolarHBondContact O-CG 3.36Å; E256-R260 PolarHBondContact O-N 3.42Å; E256-R260 IonicContact OE1-CZ 2.77Å; E256-R260 IonicContact OE1-NE 2.71Å; E256-R260 PolarHBondContact OE1-NE 2.88Å; E256-R260 IonicContact OE1-NH2 3.33Å; E256-R260 PolarHBondContact OE1-NH2 2.77Å; L257-R260 PolarHBondContact O-N 2.71Å; A258-R260 PolarHBondContact O-N 2.85Å; A258-R260 VanDerWaalsContact O-N 3.16Å; R260-S305 PolarHBondContact NH1-OG 2.96Å; R260-L306 HydrophobicContact CG-CD2 4.06Å
261	G	98.1	Very high	98.2	Very high	11 Å²	11	16.6 Å²	16.6	11%	0.113	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.3	0.7	174	0	0	0	0	0	115.8	R234 L235 L257 A258 R259	R234-G261 VanDerWaalsContact NH2-CA 3.33Å; L235-G261 CarbonylContact O-C 3.58Å; L257-G261 PolarHBondContact O-N 2.9Å; A258-G261 PolarHBondContact O-N 3.2Å; R259-G261 VanDerWaalsContact C-N 3.31Å
262	A	98.7	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-73.3	151	176.8	0	0	0	0	0	111.9	L235 K238 L257 I264 Q313	L235-A262 HydrophobicContact CB-CB 3.96Å; L235-A262 HydrophobicContact CD1-CB 4.38Å; L235-A262 WeakPolarHBondContact O-CA 3.39Å; L235-A262 PolarHBondContact O-N 3.16Å; K238-A262 CarbonylContact O-C 3.58Å; K238-A262 WeakPolarHBondContact O-CA 3.31Å; L257-A262 HydrophobicContact CB-CB 4.49Å; L257-A262 WeakPolarHBondContact O-CB 3.38Å; L257-A262 PolarHBondContact O-N 3.02Å; L257-A262 VanDerWaalsContact O-N 3.11Å; A262-I264 HydrophobicContact CB-CD1 3.88Å; A262-Q313 PolarHBondContact O-NE2 3.43Å
263	T	98.8	Very high	98.2	Very high	40 Å²	40	25.7 Å²	25.7	25%	0.245	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.2	162.4	-58.4	0	0	0	0	108.6	K238 I239 A240 I315	K238-T263 PolarHBondContact O-N 3.45Å; I239-T263 WeakPolarHBondContact CA-O 3.26Å; A240-T263 PolarHBondContact N-O 2.76Å; T263-I315 HydrophobicContact CG2-CD1 3.59Å; T263-I315 HydrophobicContact CG2-CG1 4.26Å
264	I	98.8	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.8	-177.7	-48.6	-55.9	0	0	0	110.5	A240 V242 A254 L257 A258 A262 M266 Q313 L314 I315	A240-I264 HydrophobicContact CB-CD1 3.94Å; A240-I264 WeakPolarHBondContact O-CA 3.41Å; V242-I264 HydrophobicContact CG2-CG2 4.11Å; A254-I264 HydrophobicContact CB-CG2 4.01Å; L257-I264 HydrophobicContact CB-CD1 3.64Å; A258-I264 HydrophobicContact CB-CG1 3.78Å; A262-I264 HydrophobicContact CB-CD1 3.88Å; I264-M266 HydrophobicContact CG2-CG 4.07Å; I264-M266 PolarHBondContact O-N 3.31Å; I264-Q313 PolarHBondContact N-O 3.24Å; I264-L314 HydrophobicContact CB-CD2 4.1Å; I264-L314 HydrophobicContact CG1-CD2 4.22Å; I264-I315 PolarHBondContact O-N 3.13Å
265	I	98.8	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	101.2	165.3	-62.7	161.9	0	0	0	106.9	I239 A240 I241 V242 A267 I315 E317 F330 I334 Y338 I341	I239-I265 HydrophobicContact CG2-CD1 3.67Å; I239-I265 HydrophobicContact CG2-CG1 4.26Å; A240-I265 PolarHBondContact O-N 2.94Å; I241-I265 HydrophobicContact CD1-CD1 4.41Å; I241-I265 HydrophobicContact CG1-CB 3.92Å; I241-I265 HydrophobicContact CG1-CD1 3.76Å; I241-I265 HydrophobicContact CG1-CG1 4.44Å; I241-I265 HydrophobicContact CG1-CG2 4.13Å; V242-I265 PolarHBondContact N-O 2.88Å; V242-I265 VanDerWaalsContact N-O 3.12Å; I265-A267 PolarHBondContact O-N 2.78Å; I265-A267 VanDerWaalsContact O-N 3.07Å; I265-I315 CarbonylContact C-O 3.55Å; I265-I315 WeakPolarHBondContact CA-O 3.43Å; I265-E317 HydrophobicContact CG2-CB 4.07Å; I265-E317 HydrophobicContact CG2-CG 4.09Å; I265-F330 HydrophobicContact CG2-CE2 4.27Å; I265-F330 HydrophobicContact CG2-CZ 4.18Å; I265-I334 HydrophobicContact CD1-CD1 4.29Å; I265-I334 HydrophobicContact CG2-CD1 3.99Å; I265-Y338 HydrophobicContact CD1-CD2 3.95Å; I265-Y338 HydrophobicContact CD1-CE1 4.49Å; I265-Y338 HydrophobicContact CD1-CE2 3.56Å; I265-Y338 HydrophobicContact CG1-CE2 4.16Å; I265-I341 HydrophobicContact CD1-CD1 3.7Å
266	M	98.7	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	86	178.4	-63.1	-178.4	70.5	0	0	109.5	C245 I264 C268 A277 R278 L281 L314 I315 I316 E317	C245-M266 WeakPolarHBondContact SG-CA 3.45Å; C245-M266 WeakPolarHBondContact SG-CB 3.48Å; I264-M266 HydrophobicContact CG2-CG 4.07Å; I264-M266 PolarHBondContact O-N 3.31Å; M266-C268 PolarHBondContact O-N 3.35Å; M266-A277 HydrophobicContact CE-CB 4.27Å; M266-R278 HydrophobicContact CE-CB 4.27Å; M266-R278 HydrophobicContact SD-CB 4.07Å; M266-R278 HydrophobicContact SD-CG 4.4Å; M266-L281 HydrophobicContact CE-CD1 3.71Å; M266-L281 HydrophobicContact SD-CD1 4.12Å; M266-L314 HydrophobicContact SD-CB 3.97Å; M266-L314 HydrophobicContact SD-CD2 4.25Å; M266-I315 PolarHBondContact N-O 3.07Å; M266-I316 HydrophobicContact CB-CG1 4.32Å; M266-I316 HydrophobicContact SD-CG1 4.29Å; M266-E317 PolarHBondContact O-N 3.42Å; M266-E317 VanDerWaalsContact O-N 3.11Å
267	A	98.8	Very high	98.2	Very high	1 Å²	1	35 Å²	35	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	101.1	-173.1	0	0	0	0	0	111	I241 V242 T243 G244 I265 E317 L319 F330	I241-A267 HydrophobicContact CG2-CB 3.97Å; V242-A267 PolarHBondContact O-N 3.2Å; T243-A267 WeakPolarHBondContact CA-O 3.39Å; T243-A267 HydrophobicContact CG2-CB 4.37Å; G244-A267 PolarHBondContact N-O 2.92Å; I265-A267 PolarHBondContact O-N 2.78Å; I265-A267 VanDerWaalsContact O-N 3.07Å; A267-E317 WeakPolarHBondContact CA-O 3.4Å; A267-L319 HydrophobicContact CB-CB 4.23Å; A267-L319 HydrophobicContact CB-CD2 3.79Å; A267-F330 HydrophobicContact CB-CE2 3.59Å; A267-F330 HydrophobicContact CB-CZ 3.74Å
268	C	98.2	Very high	98.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.6	-165.3	-71.1	0	0	0	0	112.4	M266 A274 E317 Q318 L319	M266-C268 PolarHBondContact O-N 3.35Å; C268-A274 HydrophobicContact CB-CB 3.76Å; C268-E317 PolarHBondContact N-O 2.85Å; C268-Q318 WeakPolarHBondContact O-CA 3.45Å; C268-L319 CarbonylContact C-O 3.56Å; C268-L319 PolarHBondContact O-N 3.07Å
269	R	97.3	Very high	98.1	Very high	139 Å²	139	39.6 Å²	39.6	53%	0.525	20%	0.195	S	C	.	.	S	Bend	trans	-68.3	-44.8	-178.8	175.8	173	73.7	179.8	6.1	113.8	Q318 L319 D320	R269-Q318 PolarHBondContact O-NE2 3.28Å; R269-L319 WeakPolarHBondContact CA-O 3.5Å; R269-L319 PolarHBondContact N-O 2.83Å; R269-L319 VanDerWaalsContact N-O 3.1Å; R269-D320 HydrophobicContact CB-CB 4.45Å; R269-D320 WeakPolarHBondContact CD-OD1 3.2Å; R269-D320 WeakPolarHBondContact CD-OD2 3.38Å; R269-D320 HydrophobicContact CG-CB 3.95Å; R269-D320 IonicContact NH1-OD2 2.69Å
270	N	97	Very high	98.1	Very high	63 Å²	63	43.6 Å²	43.6	34%	0.337	21%	0.214	S	C	.	.			trans	-108.8	124.5	-173.5	174.2	-95.6	0	0	0	109.3	E272 R273 A274	N270-E272 VanDerWaalsContact CG-OE2 3.26Å; N270-E272 PolarHBondContact ND2-OE2 2.86Å; N270-E272 PolarHBondContact OD1-OE2 3.31Å; N270-R273 VanDerWaalsContact OD1-CB 3.29Å; N270-R273 WeakPolarHBondContact OD1-CB 3.49Å; N270-R273 WeakPolarHBondContact OD1-CG 3.38Å; N270-R273 PolarHBondContact OD1-N 2.04Å; N270-A274 WeakPolarHBondContact O-CB 3.08Å; N270-A274 PolarHBondContact O-N 3.15Å
271	M	97.6	Very high	98.1	Very high	54 Å²	54	43.6 Å²	43.6	27%	0.266	21%	0.214	S	C	.	.	H	α-helix	trans	-83.2	-27.2	-167.6	-66.2	-61.6	-73.6	0	0	112.7	A274 N275 I316 Q318	M271-A274 PolarHBondContact O-N 3.28Å; M271-N275 PolarHBondContact O-N 2.71Å; M271-N275 PolarHBondContact O-ND2 3.12Å; M271-I316 HydrophobicContact CE-CB 4.41Å; M271-I316 HydrophobicContact CE-CG2 3.6Å; M271-I316 HydrophobicContact SD-CG2 3.87Å; M271-Q318 HydrophobicContact CG-CB 4.31Å; M271-Q318 HydrophobicContact CG-CG 4.19Å; M271-Q318 HydrophobicContact SD-CB 3.66Å; M271-Q318 HydrophobicContact SD-CG 4.03Å
272	E	97.9	Very high	98.1	Very high	118 Å²	118	44.8 Å²	44.8	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-65.6	-56.6	176.3	-59.7	66.3	-138.4	0	0	108.8	N270 A274 N275 E276	N270-E272 VanDerWaalsContact CG-OE2 3.26Å; N270-E272 PolarHBondContact ND2-OE2 2.86Å; N270-E272 PolarHBondContact OD1-OE2 3.31Å; E272-A274 PolarHBondContact O-N 2.85Å; E272-N275 PolarHBondContact O-N 3.12Å; E272-E276 WeakPolarHBondContact O-CG 3.25Å; E272-E276 PolarHBondContact O-N 3.3Å
273	R	97.2	Very high	98	Very high	110 Å²	110	51.2 Å²	51.2	42%	0.415	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-24.4	177.3	-63.3	-175.4	75.8	-161.8	2.4	113.7	N270 E276 A277	N270-R273 VanDerWaalsContact OD1-CB 3.29Å; N270-R273 WeakPolarHBondContact OD1-CB 3.49Å; N270-R273 WeakPolarHBondContact OD1-CG 3.38Å; N270-R273 PolarHBondContact OD1-N 2.04Å; R273-E276 WeakPolarHBondContact CA-OE2 3.25Å; R273-E276 WeakPolarHBondContact CG-OE2 3.08Å; R273-A277 VanDerWaalsContact O-CB 3.28Å; R273-A277 WeakPolarHBondContact O-CB 3.41Å; R273-A277 PolarHBondContact O-N 3.45Å
274	A	97.8	Very high	97.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.2	-36.4	171.4	0	0	0	0	0	112.3	C268 N270 M271 E272 R278 I316	C268-A274 HydrophobicContact CB-CB 3.76Å; N270-A274 WeakPolarHBondContact O-CB 3.08Å; N270-A274 PolarHBondContact O-N 3.15Å; M271-A274 PolarHBondContact O-N 3.28Å; E272-A274 PolarHBondContact O-N 2.85Å; A274-R278 WeakPolarHBondContact O-CB 3.47Å; A274-R278 PolarHBondContact O-N 3.41Å; A274-I316 HydrophobicContact CB-CD1 4.26Å; A274-I316 HydrophobicContact CB-CG2 3.58Å; A274-I316 WeakPolarHBondContact O-CD1 3.33Å
275	N	98.3	Very high	97.8	Very high	67 Å²	67	51.3 Å²	51.3	36%	0.358	25%	0.245	S	C	.	.	H	α-helix	trans	-72.1	-40.6	173.1	-82.5	-77.7	0	0	0	112	M271 E272 A277 R278 A279 I316	M271-N275 PolarHBondContact O-N 2.71Å; M271-N275 PolarHBondContact O-ND2 3.12Å; E272-N275 PolarHBondContact O-N 3.12Å; N275-A277 VanDerWaalsContact C-N 3.34Å; N275-A277 PolarHBondContact O-N 2.9Å; N275-R278 PolarHBondContact O-N 3.31Å; N275-R278 PolarHBondContact OD1-NH2 3.09Å; N275-A279 WeakPolarHBondContact O-CB 3.29Å; N275-A279 PolarHBondContact O-N 3.12Å; N275-I316 HydrophobicContact CB-CD1 4.24Å; N275-I316 WeakPolarHBondContact OD1-CD1 3.34Å
276	E	98.2	Very high	97.7	Very high	121 Å²	121	51.4 Å²	51.4	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-53.3	-51	169.1	-68.5	167.1	-174	0	0	110.9	E272 R273 R278 A279 H280	E272-E276 WeakPolarHBondContact O-CG 3.25Å; E272-E276 PolarHBondContact O-N 3.3Å; R273-E276 WeakPolarHBondContact CA-OE2 3.25Å; R273-E276 WeakPolarHBondContact CG-OE2 3.08Å; E276-R278 PolarHBondContact O-N 2.83Å; E276-A279 PolarHBondContact O-N 3.31Å; E276-H280 WeakPolarHBondContact O-CB 3.49Å; E276-H280 PolarHBondContact O-N 3.07Å
277	A	97.8	Very high	97.5	Very high	7 Å²	7	56.4 Å²	56.4	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-39.5	178.4	0	0	0	0	0	112.7	N246 F251 M266 R273 N275 H280 L281	N246-A277 HydrophobicContact CB-CB 3.95Å; F251-A277 HydrophobicContact CD2-CB 4.28Å; F251-A277 HydrophobicContact CE2-CB 4.41Å; M266-A277 HydrophobicContact CE-CB 4.27Å; R273-A277 VanDerWaalsContact O-CB 3.28Å; R273-A277 WeakPolarHBondContact O-CB 3.41Å; R273-A277 PolarHBondContact O-N 3.45Å; N275-A277 VanDerWaalsContact C-N 3.34Å; N275-A277 PolarHBondContact O-N 2.9Å; A277-H280 PolarHBondContact O-N 2.97Å; A277-L281 WeakPolarHBondContact O-CB 3.45Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 2.88Å
278	R	98.5	Very high	97.3	Very high	38 Å²	38	63.7 Å²	63.7	14%	0.143	31%	0.308	C	S	.	.	H	α-helix	trans	-65.6	-40.6	175.4	-179.6	171.3	64.2	150.5	-1.1	112.3	M266 A274 N275 E276 L281 L282 W311 L314 I316	M266-R278 HydrophobicContact CE-CB 4.27Å; M266-R278 HydrophobicContact SD-CB 4.07Å; M266-R278 HydrophobicContact SD-CG 4.4Å; A274-R278 WeakPolarHBondContact O-CB 3.47Å; A274-R278 PolarHBondContact O-N 3.41Å; N275-R278 PolarHBondContact O-N 3.31Å; N275-R278 PolarHBondContact OD1-NH2 3.09Å; E276-R278 PolarHBondContact O-N 2.83Å; R278-L281 PolarHBondContact O-N 2.92Å; R278-L282 HydrophobicContact CG-CD1 4.24Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.86Å; R278-L282 VanDerWaalsContact O-N 3.14Å; R278-W311 VanDerWaalsContact NH1-CE2 3.31Å; R278-L314 WeakPolarHBondContact CD-O 3.46Å; R278-L314 HydrophobicContact CG-CB 3.81Å; R278-L314 HydrophobicContact CG-CD1 3.94Å; R278-L314 PolarHBondContact NH1-O 2.9Å; R278-I316 HydrophobicContact CB-CD1 3.99Å
279	A	98	Very high	97.2	Very high	60 Å²	60	65.9 Å²	65.9	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-61.6	-47.8	174.6	0	0	0	0	0	110.7	N275 E276 L281 L282 E283	N275-A279 WeakPolarHBondContact O-CB 3.29Å; N275-A279 PolarHBondContact O-N 3.12Å; E276-A279 PolarHBondContact O-N 3.31Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 2.95Å; A279-L282 PolarHBondContact O-N 2.89Å; A279-L282 VanDerWaalsContact O-N 3.12Å; A279-E283 WeakPolarHBondContact O-CB 3.23Å; A279-E283 PolarHBondContact O-N 3.01Å
280	H	97.5	Very high	97	Very high	86 Å²	86	64.1 Å²	64.1	40%	0.398	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-33.9	177.6	-171.1	-131.4	0	0	0	113	F251 E276 A277 E283 M284	F251-H280 HydrophobicContact CE2-CB 4.33Å; F251-H280 AromaticContact CE2-ND1 3.67Å; F251-H280 HydrophobicContact CZ-CB 4.38Å; F251-H280 AromaticContact CZ-CE1 3.96Å; F251-H280 AromaticContact CZ-ND1 3.24Å; F251-H280 WeakPolarHBondContact CZ-ND1 3.49Å; E276-H280 WeakPolarHBondContact O-CB 3.49Å; E276-H280 PolarHBondContact O-N 3.07Å; A277-H280 PolarHBondContact O-N 2.97Å; H280-E283 IonicContact CD2-OE2 2.94Å; H280-E283 PolarHBondContact O-N 3.11Å; H280-M284 PolarHBondContact CE1-SD 2.82Å; H280-M284 WeakPolarHBondContact O-CB 3.5Å; H280-M284 WeakPolarHBondContact O-CG 3.34Å; H280-M284 PolarHBondContact O-N 2.92Å
281	L	97.7	Very high	96.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-42.1	171.3	-77.5	173.3	0	0	0	112.4	F251 M266 A277 R278 A279 Y285 L314	F251-L281 HydrophobicContact CD1-CD2 4.29Å; F251-L281 HydrophobicContact CD2-CD2 4.02Å; F251-L281 HydrophobicContact CD2-CG 4.07Å; F251-L281 HydrophobicContact CE1-CD2 3.93Å; F251-L281 HydrophobicContact CE2-CD1 4.49Å; F251-L281 HydrophobicContact CE2-CD2 3.65Å; F251-L281 HydrophobicContact CE2-CG 3.56Å; F251-L281 HydrophobicContact CG-CD2 4.33Å; F251-L281 HydrophobicContact CZ-CD2 3.58Å; F251-L281 HydrophobicContact CZ-CG 3.89Å; M266-L281 HydrophobicContact CE-CD1 3.71Å; M266-L281 HydrophobicContact SD-CD1 4.12Å; A277-L281 WeakPolarHBondContact O-CB 3.45Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 2.88Å; R278-L281 PolarHBondContact O-N 2.92Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 2.95Å; L281-Y285 HydrophobicContact CD2-CD2 4Å; L281-Y285 HydrophobicContact CD2-CE2 4.02Å; L281-Y285 WeakPolarHBondContact O-CA 3.04Å; L281-Y285 WeakPolarHBondContact O-CB 3.45Å; L281-Y285 WeakPolarHBondContact O-CD2 3.38Å; L281-Y285 PolarHBondContact O-N 2.81Å; L281-L314 HydrophobicContact CB-CD1 3.7Å; L281-L314 HydrophobicContact CD1-CD1 3.8Å; L281-L314 HydrophobicContact CD1-CD2 4.21Å; L281-L314 HydrophobicContact CG-CD1 4.4Å
282	L	97.7	Very high	96.5	Very high	35 Å²	35	65.2 Å²	65.2	18%	0.183	34%	0.336	C	S	.	.	H	α-helix	trans	-76	-27.9	179.2	-65	169.3	0	0	0	112.2	R278 A279 G286 I309 W311 L314	R278-L282 HydrophobicContact CG-CD1 4.24Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.86Å; R278-L282 VanDerWaalsContact O-N 3.14Å; A279-L282 PolarHBondContact O-N 2.89Å; A279-L282 VanDerWaalsContact O-N 3.12Å; L282-G286 WeakPolarHBondContact O-CA 3.26Å; L282-G286 PolarHBondContact O-N 2.91Å; L282-I309 HydrophobicContact CD2-CB 4.23Å; L282-I309 HydrophobicContact CD2-CG2 3.98Å; L282-I309 WeakPolarHBondContact CD2-O 3.46Å; L282-W311 HydrophobicContact CD1-CB 4.17Å; L282-W311 HydrophobicContact CD1-CG 4.17Å; L282-L314 HydrophobicContact CD2-CD1 4.07Å; L282-L314 HydrophobicContact CG-CD1 4.06Å
283	E	97.1	Very high	96.1	Very high	135 Å²	135	61.9 Å²	61.9	63%	0.631	32%	0.32	S	S	*	.	H	α-helix	trans	-69.2	-48.9	170.2	-177.6	178.9	-160	0	0	111.6	A279 H280 N289	A279-E283 WeakPolarHBondContact O-CB 3.23Å; A279-E283 PolarHBondContact O-N 3.01Å; H280-E283 IonicContact CD2-OE2 2.94Å; H280-E283 PolarHBondContact O-N 3.11Å; E283-N289 WeakPolarHBondContact O-CB 3.43Å; E283-N289 PolarHBondContact O-ND2 2.89Å
284	M	96.2	Very high	95.8	Very high	43 Å²	43	62.2 Å²	62.2	21%	0.212	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-37.3	-178.9	-71.7	-171.5	77.9	0	0	113.7	F251 H280 N289 T295	F251-M284 HydrophobicContact CE1-SD 3.93Å; F251-M284 HydrophobicContact CZ-SD 4.05Å; H280-M284 PolarHBondContact CE1-SD 2.82Å; H280-M284 WeakPolarHBondContact O-CB 3.5Å; H280-M284 WeakPolarHBondContact O-CG 3.34Å; H280-M284 PolarHBondContact O-N 2.92Å; M284-N289 PolarHBondContact O-ND2 2.98Å; M284-T295 HydrophobicContact CE-CG2 3.99Å
285	Y	97.5	Very high	95.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-134.7	2.6	-166.1	-45.8	-73.4	0	0	0	114.5	F251 S255 L281 S292 T295 D296 P308 I309	F251-Y285 HydrophobicContact CE1-CE2 4.17Å; S255-Y285 VanDerWaalsContact CB-CE2 3.47Å; L281-Y285 HydrophobicContact CD2-CD2 4Å; L281-Y285 HydrophobicContact CD2-CE2 4.02Å; L281-Y285 WeakPolarHBondContact O-CA 3.04Å; L281-Y285 WeakPolarHBondContact O-CB 3.45Å; L281-Y285 WeakPolarHBondContact O-CD2 3.38Å; L281-Y285 PolarHBondContact O-N 2.81Å; Y285-S292 VanDerWaalsContact C-CB 3.46Å; Y285-S292 WeakPolarHBondContact O-CB 3.44Å; Y285-T295 HydrophobicContact CE1-CG2 3.85Å; Y285-D296 HydrophobicContact CE1-CB 4.13Å; Y285-D296 PolarHBondContact OH-OD2 3.1Å; Y285-P308 CarbonylContact O-C 3.59Å; Y285-P308 VanDerWaalsContact O-CA 3.28Å; Y285-P308 WeakPolarHBondContact O-CA 3.44Å; Y285-I309 HydrophobicContact CD2-CD1 4.33Å; Y285-I309 HydrophobicContact CG-CD1 4.38Å; Y285-I309 PolarHBondContact O-N 3.43Å
286	G	97.1	Very high	95.4	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.01	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-81.6	170	-178.3	0	0	0	0	0	114.1	L282 N288 N289 I309	L282-G286 WeakPolarHBondContact O-CA 3.26Å; L282-G286 PolarHBondContact O-N 2.91Å; G286-N288 PolarHBondContact O-N 2.92Å; G286-N288 VanDerWaalsContact O-N 3.07Å; G286-N289 PolarHBondContact O-N 3.1Å; G286-I309 VanDerWaalsContact CA-O 3.25Å; G286-I309 WeakPolarHBondContact CA-O 3.25Å
287	E	95.3	Very high	95.2	Very high	106 Å²	106	59.1 Å²	59.1	50%	0.495	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.1	-178.9	68.6	-162.6	126.9	0	0	114.8	N289 P308 I309 F310	E287-N289 VanDerWaalsContact C-N 3.31Å; E287-N289 PolarHBondContact O-N 3.31Å; E287-P308 HydrophobicContact CB-CB 4.26Å; E287-I309 PolarHBondContact N-O 2.99Å; E287-F310 HydrophobicContact CB-CD1 4.43Å; E287-F310 HydrophobicContact CB-CE1 4.2Å; E287-F310 WeakPolarHBondContact OE2-CD1 3.32Å; E287-F310 WeakPolarHBondContact OE2-CE1 3.34Å
288	N	94.6	Very high	95	Very high	153 Å²	153	59.4 Å²	59.4	82%	0.818	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-5	-179.5	-63.8	-73.7	0	0	0	114	G286	G286-N288 PolarHBondContact O-N 2.92Å; G286-N288 VanDerWaalsContact O-N 3.07Å
289	N	95.3	Very high	94.7	Very high	47 Å²	47	59.2 Å²	59.2	25%	0.251	32%	0.323	S	S	.	.			trans	-108.6	111.7	177	-175.4	-17	0	0	0	110.8	E283 M284 G286 E287 K291 S292	E283-N289 WeakPolarHBondContact O-CB 3.43Å; E283-N289 PolarHBondContact O-ND2 2.89Å; M284-N289 PolarHBondContact O-ND2 2.98Å; G286-N289 PolarHBondContact O-N 3.1Å; E287-N289 VanDerWaalsContact C-N 3.31Å; E287-N289 PolarHBondContact O-N 3.31Å; N289-K291 PolarHBondContact O-N 3.22Å; N289-K291 VanDerWaalsContact O-N 3.1Å; N289-K291 PolarHBondContact OD1-N 3.4Å; N289-S292 WeakPolarHBondContact O-CB 3.29Å; N289-S292 PolarHBondContact O-N 3.43Å; N289-S292 PolarHBondContact O-OG 3.46Å
290	A	92.8	Very high	94.4	Very high	103 Å²	103	61.6 Å²	61.6	85%	0.851	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.5	178.9	0	0	0	0	0	114.6
291	K	92.5	Very high	94.2	Very high	136 Å²	136	61.3 Å²	61.3	59%	0.591	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	6.8	176.1	-59.9	-172.5	178.2	-173.9	0	113.4	N289 E293 E294 T295	N289-K291 PolarHBondContact O-N 3.22Å; N289-K291 VanDerWaalsContact O-N 3.1Å; N289-K291 PolarHBondContact OD1-N 3.4Å; K291-E293 PolarHBondContact O-N 2.8Å; K291-E294 WeakPolarHBondContact O-CA 3.43Å; K291-E294 PolarHBondContact O-N 2.86Å; K291-T295 PolarHBondContact O-N 3.18Å; K291-T295 PolarHBondContact O-OG1 3.23Å; K291-T295 VanDerWaalsContact O-OG1 3.14Å
292	S	91.5	Very high	94	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.028	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-29.4	179.8	52.5	0	0	0	0	114.5	R259 Y285 N289	R259-S292 PolarHBondContact NE-O 2.86Å; R259-S292 PolarHBondContact NH2-O 2.82Å; Y285-S292 VanDerWaalsContact C-CB 3.46Å; Y285-S292 WeakPolarHBondContact O-CB 3.44Å; N289-S292 WeakPolarHBondContact O-CB 3.29Å; N289-S292 PolarHBondContact O-N 3.43Å; N289-S292 PolarHBondContact O-OG 3.46Å
293	E	90.5	Very high	93.8	Very high	48 Å²	48	63.2 Å²	63.2	22%	0.224	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	2.5	174	-66.3	-165.1	-153.8	0	0	113.9	K291 V297 K303 K307 P308	K291-E293 PolarHBondContact O-N 2.8Å; E293-V297 WeakPolarHBondContact O-CG2 3.33Å; E293-K303 VanDerWaalsContact O-CE 3.31Å; E293-K303 WeakPolarHBondContact O-CE 3.17Å; E293-K307 WeakPolarHBondContact OE1-CD 3.28Å; E293-K307 IonicContact OE1-NZ 2.92Å; E293-K307 PolarHBondContact OE1-NZ 3.14Å; E293-K307 IonicContact OE2-NZ 2.98Å; E293-K307 PolarHBondContact OE2-NZ 2.73Å; E293-P308 HydrophobicContact CG-CG 4.43Å
294	E	91	Very high	93.6	Very high	116 Å²	116	60.5 Å²	60.5	54%	0.542	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-30.4	-173.7	-45.6	-153.1	127.1	0	0	113.2	K291 V297 K303	K291-E294 WeakPolarHBondContact O-CA 3.43Å; K291-E294 PolarHBondContact O-N 2.86Å; E294-V297 WeakPolarHBondContact O-CG2 3.34Å; E294-K303 IonicContact OE1-NZ 2.64Å; E294-K303 PolarHBondContact OE1-NZ 2.83Å
295	T	92.2	Very high	93.6	Very high	42 Å²	42	58.5 Å²	58.5	26%	0.258	32%	0.324	S	S	.	.	S	Bend	trans	-64.9	138.9	171.6	-51.2	0	0	0	0	111.4	R259 M284 Y285 K291 V297	R259-T295 VanDerWaalsContact CZ-O 3.27Å; R259-T295 PolarHBondContact NH1-O 3.47Å; R259-T295 VanDerWaalsContact NH1-O 3.11Å; R259-T295 PolarHBondContact NH2-O 2.76Å; M284-T295 HydrophobicContact CE-CG2 3.99Å; Y285-T295 HydrophobicContact CE1-CG2 3.85Å; K291-T295 PolarHBondContact O-N 3.18Å; K291-T295 PolarHBondContact O-OG1 3.23Å; K291-T295 VanDerWaalsContact O-OG1 3.14Å; T295-V297 WeakPolarHBondContact O-CG2 3.39Å; T295-V297 PolarHBondContact O-N 3.01Å
296	D	94	Very high	93.5	Very high	44 Å²	44	58.5 Å²	58.5	24%	0.235	32%	0.324	C	S	.	.	S	Bend	trans	49	59.2	174.1	-81	11.7	0	0	0	113	H252 R259 Y285 W484	H252-D296 IonicContact CE1-OD2 2.68Å; H252-D296 PolarHBondContact CE1-OD2 3.3Å; H252-D296 IonicContact ND1-OD2 3.49Å; H252-D296 PolarHBondContact ND1-OD2 3.03Å; R259-D296 PolarHBondContact NH1-O 2.85Å; Y285-D296 HydrophobicContact CE1-CB 4.13Å; Y285-D296 PolarHBondContact OH-OD2 3.1Å; D296-W484 HydrophobicContact CB-CD2 4.35Å; D296-W484 HydrophobicContact CB-CG 4.09Å; D296-W484 WeakPolarHBondContact OD2-CB 3.29Å; D296-W484 VanDerWaalsContact OD2-CD1 3.24Å
297	V	94.9	Very high	93.5	Very high	38 Å²	38	62.4 Å²	62.4	23%	0.23	34%	0.341	C	S	.	.			trans	-117.4	123.5	-179.2	178.8	0	0	0	0	109.6	E293 E294 T295 C299 V302 L306	E293-V297 WeakPolarHBondContact O-CG2 3.33Å; E294-V297 WeakPolarHBondContact O-CG2 3.34Å; T295-V297 WeakPolarHBondContact O-CG2 3.39Å; T295-V297 PolarHBondContact O-N 3.01Å; V297-C299 WeakPolarHBondContact CG1-O 3.38Å; V297-V302 HydrophobicContact CG1-CG2 3.95Å; V297-L306 HydrophobicContact CG1-CD1 4.38Å; V297-L306 HydrophobicContact CG2-CD1 3.98Å
298	A	92.6	Very high	93.6	Very high	13 Å²	13	58.7 Å²	58.7	11%	0.107	33%	0.326	C	S	.	.	S	Bend	trans	-68.3	-39.1	-177.1	0	0	0	0	0	113.6	I222 L228 C229 I230 V302 W484	I222-A298 WeakPolarHBondContact CD1-O 3.45Å; L228-A298 HydrophobicContact CB-CB 3.96Å; L228-A298 HydrophobicContact CD1-CB 4.24Å; C229-A298 WeakPolarHBondContact O-CB 3.24Å; I230-A298 HydrophobicContact CG2-CB 4.3Å; A298-V302 HydrophobicContact CB-CG2 4.08Å; A298-W484 HydrophobicContact CB-CH2 4.49Å; A298-W484 HydrophobicContact CB-CZ2 4.3Å
299	C	92.9	Very high	93.8	Very high	34 Å²	34	51.4 Å²	51.4	23%	0.23	29%	0.287	C	S	.	.			trans	-169	173	172.8	59.5	0	0	0	0	110.7	I222 I230 V297 R301 V302	I222-C299 HydrophobicContact CD1-CB 3.99Å; I230-C299 WeakPolarHBondContact CG2-SG 3.46Å; V297-C299 WeakPolarHBondContact CG1-O 3.38Å; C299-R301 PolarHBondContact O-N 3.27Å; C299-R301 VanDerWaalsContact O-N 3.16Å; C299-V302 WeakPolarHBondContact O-CG2 3.43Å; C299-V302 PolarHBondContact O-N 3.1Å; C299-V302 VanDerWaalsContact O-N 3.16Å
300	S	92.6	Very high	93.9	Very high	109 Å²	109	53.9 Å²	53.9	76%	0.762	30%	0.296	S	S	*	.	H	α-helix	trans	-49.5	-40	176.2	54	0	0	0	0	113.7	V302 K303	S300-V302 VanDerWaalsContact C-N 3.31Å; S300-V302 PolarHBondContact O-N 3Å; S300-K303 WeakPolarHBondContact O-CB 3.3Å; S300-K303 PolarHBondContact O-N 3.45Å; S300-K303 VanDerWaalsContact O-N 3.12Å
301	R	92.1	Very high	94.1	Very high	80 Å²	80	56.5 Å²	56.5	30%	0.302	28%	0.284	S	S	.	.	H	α-helix	trans	-52.8	-43.2	179.4	-178.3	-177.5	167.5	109.6	16.1	113	M218 I230 N232 C299 S304	M218-R301 PolarHBondContact SD-NH1 2.77Å; M218-R301 PolarHBondContact SD-NH2 2.74Å; I230-R301 VanDerWaalsContact O-CD 3.32Å; I230-R301 WeakPolarHBondContact O-CD 3.49Å; I230-R301 PolarHBondContact O-NE 2.7Å; N232-R301 HydrophobicContact CB-CG 4.4Å; N232-R301 WeakPolarHBondContact CB-O 3.19Å; N232-R301 PolarHBondContact OD1-NE 3.16Å; N232-R301 PolarHBondContact OD1-NH2 3Å; C299-R301 PolarHBondContact O-N 3.27Å; C299-R301 VanDerWaalsContact O-N 3.16Å; R301-S304 PolarHBondContact O-OG 3.37Å
302	V	94.5	Very high	94.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-81	-18.7	-177.8	-65.5	0	0	0	0	113.8	I230 V297 A298 C299 S300 S304 S305 L306	I230-V302 VanDerWaalsContact C-CG1 3.45Å; I230-V302 VanDerWaalsContact CA-CG1 3.5Å; I230-V302 HydrophobicContact CB-CG1 4.29Å; I230-V302 WeakPolarHBondContact O-CG1 3.42Å; V297-V302 HydrophobicContact CG1-CG2 3.95Å; A298-V302 HydrophobicContact CB-CG2 4.08Å; C299-V302 WeakPolarHBondContact O-CG2 3.43Å; C299-V302 PolarHBondContact O-N 3.1Å; C299-V302 VanDerWaalsContact O-N 3.16Å; S300-V302 VanDerWaalsContact C-N 3.31Å; S300-V302 PolarHBondContact O-N 3Å; V302-S304 PolarHBondContact O-N 3.03Å; V302-S304 VanDerWaalsContact O-N 3.17Å; V302-S305 PolarHBondContact O-N 3.41Å; V302-S305 PolarHBondContact O-OG 3.11Å; V302-L306 HydrophobicContact CG2-CD1 4.22Å; V302-L306 WeakPolarHBondContact O-CG 3.49Å; V302-L306 PolarHBondContact O-N 3.07Å
303	K	93.3	Very high	94.6	Very high	76 Å²	76	56.2 Å²	56.2	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-55	-37.1	178.7	-164.4	173.7	-171.1	178.4	0	111.7	E293 E294 S300 S305 L306	E293-K303 VanDerWaalsContact O-CE 3.31Å; E293-K303 WeakPolarHBondContact O-CE 3.17Å; E294-K303 IonicContact OE1-NZ 2.64Å; E294-K303 PolarHBondContact OE1-NZ 2.83Å; S300-K303 WeakPolarHBondContact O-CB 3.3Å; S300-K303 PolarHBondContact O-N 3.45Å; S300-K303 VanDerWaalsContact O-N 3.12Å; K303-S305 PolarHBondContact O-N 3.31Å; K303-S305 VanDerWaalsContact O-N 3.11Å; K303-L306 PolarHBondContact O-N 3.49Å; K303-L306 VanDerWaalsContact O-N 3.16Å
304	S	92.5	Very high	95	Very high	77 Å²	77	54 Å²	54	54%	0.538	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-30.2	172.2	63.4	0	0	0	0	115	R301 V302	R301-S304 PolarHBondContact O-OG 3.37Å; V302-S304 PolarHBondContact O-N 3.03Å; V302-S304 VanDerWaalsContact O-N 3.17Å
305	S	95.3	Very high	95.3	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.007	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-9.3	-176.2	67.5	0	0	0	0	114.3	N232 R234 R260 V302 K303	N232-S305 VanDerWaalsContact O-CB 3.3Å; N232-S305 WeakPolarHBondContact O-CB 3.5Å; R234-S305 VanDerWaalsContact CD-O 3.31Å; R234-S305 WeakPolarHBondContact CD-O 3.4Å; R234-S305 PolarHBondContact NH1-O 3.44Å; R260-S305 PolarHBondContact NH1-OG 2.96Å; V302-S305 PolarHBondContact O-N 3.41Å; V302-S305 PolarHBondContact O-OG 3.11Å; K303-S305 PolarHBondContact O-N 3.31Å; K303-S305 VanDerWaalsContact O-N 3.11Å
306	L	96.9	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.			trans	-99.5	129.6	-178.1	-60.6	171.3	0	0	0	109.3	E256 R259 R260 V297 V302 K303	E256-L306 HydrophobicContact CG-CD2 3.59Å; R259-L306 HydrophobicContact CB-CB 4.44Å; R259-L306 HydrophobicContact CB-CD2 3.81Å; R260-L306 HydrophobicContact CG-CD2 4.06Å; V297-L306 HydrophobicContact CG1-CD1 4.38Å; V297-L306 HydrophobicContact CG2-CD1 3.98Å; V302-L306 HydrophobicContact CG2-CD1 4.22Å; V302-L306 WeakPolarHBondContact O-CG 3.49Å; V302-L306 PolarHBondContact O-N 3.07Å; K303-L306 PolarHBondContact O-N 3.49Å; K303-L306 VanDerWaalsContact O-N 3.16Å
307	K	96.6	Very high	95.8	Very high	84 Å²	84	48 Å²	48	37%	0.365	25%	0.247	S	C	.	.			trans	-132.1	162.3	176.8	-69.5	-68.3	140.3	-147.1	0	109.9	R259 E293	R259-K307 VanDerWaalsContact CA-O 3.29Å; R259-K307 WeakPolarHBondContact CA-O 3.37Å; R259-K307 WeakPolarHBondContact CB-O 3.44Å; R259-K307 WeakPolarHBondContact CG-O 3.29Å; R259-K307 PolarHBondContact O-N 2.79Å; E293-K307 WeakPolarHBondContact OE1-CD 3.28Å; E293-K307 IonicContact OE1-NZ 2.92Å; E293-K307 PolarHBondContact OE1-NZ 3.14Å; E293-K307 IonicContact OE2-NZ 2.98Å; E293-K307 PolarHBondContact OE2-NZ 2.73Å
308	P	97.6	Very high	96	Very high	27 Å²	27	50.9 Å²	50.9	18%	0.175	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-61.9	145.8	176.3	-18	30.9	0	0	0	111.3	Y285 E287 E293	Y285-P308 CarbonylContact O-C 3.59Å; Y285-P308 VanDerWaalsContact O-CA 3.28Å; Y285-P308 WeakPolarHBondContact O-CA 3.44Å; E287-P308 HydrophobicContact CB-CB 4.26Å; E293-P308 HydrophobicContact CG-CG 4.43Å
309	I	97.9	Very high	96.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-82.3	128	178.9	-53.4	175.7	0	0	0	109.9	A258 R259 L282 Y285 G286 E287 Q313 L314	A258-I309 HydrophobicContact CB-CD1 3.74Å; A258-I309 HydrophobicContact CB-CG1 3.89Å; A258-I309 HydrophobicContact CB-CG2 4Å; R259-I309 HydrophobicContact CG-CD1 4.07Å; R259-I309 HydrophobicContact CG-CG1 3.74Å; L282-I309 HydrophobicContact CD2-CB 4.23Å; L282-I309 HydrophobicContact CD2-CG2 3.98Å; L282-I309 WeakPolarHBondContact CD2-O 3.46Å; Y285-I309 HydrophobicContact CD2-CD1 4.33Å; Y285-I309 HydrophobicContact CG-CD1 4.38Å; Y285-I309 PolarHBondContact O-N 3.43Å; G286-I309 VanDerWaalsContact CA-O 3.25Å; G286-I309 WeakPolarHBondContact CA-O 3.25Å; E287-I309 PolarHBondContact N-O 2.99Å; I309-Q313 HydrophobicContact CG2-CB 4.23Å; I309-L314 HydrophobicContact CG2-CD1 3.88Å; I309-L314 HydrophobicContact CG2-CD2 4.21Å; I309-L314 HydrophobicContact CG2-CG 3.81Å
310	F	97.5	Very high	96.6	Very high	99 Å²	99	50.9 Å²	50.9	43%	0.434	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-87.5	146.3	169.6	-60.9	-77.4	0	0	0	111.3	E287 N312 Q313	E287-F310 HydrophobicContact CB-CD1 4.43Å; E287-F310 HydrophobicContact CB-CE1 4.2Å; E287-F310 WeakPolarHBondContact OE2-CD1 3.32Å; E287-F310 WeakPolarHBondContact OE2-CE1 3.34Å; F310-N312 VanDerWaalsContact CB-OD1 3.24Å; F310-N312 WeakPolarHBondContact CB-OD1 3.28Å; F310-N312 PolarHBondContact O-N 2.75Å; F310-N312 VanDerWaalsContact O-N 3.12Å; F310-Q313 HydrophobicContact CB-CG 4.42Å; F310-Q313 WeakPolarHBondContact O-CB 3.46Å; F310-Q313 PolarHBondContact O-N 2.86Å
311	W	96.7	Very high	96.8	Very high	159 Å²	159	46.2 Å²	46.2	60%	0.602	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-54.8	-35.5	-176	-178.1	100	0	0	0	113.8	R278 L282 Q313 L314	R278-W311 VanDerWaalsContact NH1-CE2 3.31Å; L282-W311 HydrophobicContact CD1-CB 4.17Å; L282-W311 HydrophobicContact CD1-CG 4.17Å; W311-Q313 VanDerWaalsContact C-N 3.27Å; W311-Q313 PolarHBondContact O-N 2.82Å; W311-L314 PolarHBondContact O-N 3.36Å
312	N	96.8	Very high	97.1	Very high	113 Å²	113	42.7 Å²	42.7	60%	0.604	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-71.1	-15.4	-180	64.3	-13.5	0	0	0	114.2	F310 L314	F310-N312 VanDerWaalsContact CB-OD1 3.24Å; F310-N312 WeakPolarHBondContact CB-OD1 3.28Å; F310-N312 PolarHBondContact O-N 2.75Å; F310-N312 VanDerWaalsContact O-N 3.12Å; N312-L314 VanDerWaalsContact C-N 3.3Å
313	Q	98	Very high	97.3	Very high	20 Å²	20	43 Å²	43	9%	0.093	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-75.2	-18.3	173.1	-64	-178	-99	0	0	112.9	A258 A262 I264 I309 F310 W311	A258-Q313 PolarHBondContact O-NE2 3.18Å; A262-Q313 PolarHBondContact O-NE2 3.43Å; I264-Q313 PolarHBondContact N-O 3.24Å; I309-Q313 HydrophobicContact CG2-CB 4.23Å; F310-Q313 HydrophobicContact CB-CG 4.42Å; F310-Q313 WeakPolarHBondContact O-CB 3.46Å; F310-Q313 PolarHBondContact O-N 2.86Å; W311-Q313 VanDerWaalsContact C-N 3.27Å; W311-Q313 PolarHBondContact O-N 2.82Å
314	L	98.5	Very high	97.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	90	-172.8	-61.5	-175.9	0	0	0	111.1	A258 I264 M266 R278 L281 L282 I309 W311 N312	A258-L314 HydrophobicContact CB-CD2 4.01Å; I264-L314 HydrophobicContact CB-CD2 4.1Å; I264-L314 HydrophobicContact CG1-CD2 4.22Å; M266-L314 HydrophobicContact SD-CB 3.97Å; M266-L314 HydrophobicContact SD-CD2 4.25Å; R278-L314 WeakPolarHBondContact CD-O 3.46Å; R278-L314 HydrophobicContact CG-CB 3.81Å; R278-L314 HydrophobicContact CG-CD1 3.94Å; R278-L314 PolarHBondContact NH1-O 2.9Å; L281-L314 HydrophobicContact CB-CD1 3.7Å; L281-L314 HydrophobicContact CD1-CD1 3.8Å; L281-L314 HydrophobicContact CD1-CD2 4.21Å; L281-L314 HydrophobicContact CG-CD1 4.4Å; L282-L314 HydrophobicContact CD2-CD1 4.07Å; L282-L314 HydrophobicContact CG-CD1 4.06Å; I309-L314 HydrophobicContact CG2-CD1 3.88Å; I309-L314 HydrophobicContact CG2-CD2 4.21Å; I309-L314 HydrophobicContact CG2-CG 3.81Å; W311-L314 PolarHBondContact O-N 3.36Å; N312-L314 VanDerWaalsContact C-N 3.3Å
315	I	98.4	Very high	97.9	Very high	46 Å²	46	42.8 Å²	42.8	24%	0.236	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	113.9	-174	-55.7	177.8	0	0	0	108.9	T263 I264 I265 M266 Y338	T263-I315 HydrophobicContact CG2-CD1 3.59Å; T263-I315 HydrophobicContact CG2-CG1 4.26Å; I264-I315 PolarHBondContact O-N 3.13Å; I265-I315 CarbonylContact C-O 3.55Å; I265-I315 WeakPolarHBondContact CA-O 3.43Å; M266-I315 PolarHBondContact N-O 3.07Å; I315-Y338 VanDerWaalsContact CD1-OH 3.23Å; I315-Y338 WeakPolarHBondContact CD1-OH 3.23Å
316	I	98.5	Very high	98	Very high	23 Å²	23	43.5 Å²	43.5	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.9	-179	-54.6	170.1	0	0	0	110.3	M266 M271 A274 N275 R278	M266-I316 HydrophobicContact CB-CG1 4.32Å; M266-I316 HydrophobicContact SD-CG1 4.29Å; M271-I316 HydrophobicContact CE-CB 4.41Å; M271-I316 HydrophobicContact CE-CG2 3.6Å; M271-I316 HydrophobicContact SD-CG2 3.87Å; A274-I316 HydrophobicContact CB-CD1 4.26Å; A274-I316 HydrophobicContact CB-CG2 3.58Å; A274-I316 WeakPolarHBondContact O-CD1 3.33Å; N275-I316 HydrophobicContact CB-CD1 4.24Å; N275-I316 WeakPolarHBondContact OD1-CD1 3.34Å; R278-I316 HydrophobicContact CB-CD1 3.99Å
317	E	98.5	Very high	98.1	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.1	175.1	-84	-71.8	177.8	0	0	110.9	I265 M266 A267 C268 F330 R333 I334 R337	I265-E317 HydrophobicContact CG2-CB 4.07Å; I265-E317 HydrophobicContact CG2-CG 4.09Å; M266-E317 PolarHBondContact O-N 3.42Å; M266-E317 VanDerWaalsContact O-N 3.11Å; A267-E317 WeakPolarHBondContact CA-O 3.4Å; C268-E317 PolarHBondContact N-O 2.85Å; E317-F330 HydrophobicContact CB-CD2 3.93Å; E317-F330 HydrophobicContact CB-CE2 3.57Å; E317-F330 HydrophobicContact CG-CE2 4.41Å; E317-R333 IonicContact OE2-CZ 2.71Å; E317-R333 VanDerWaalsContact OE2-CZ 3.23Å; E317-R333 IonicContact OE2-NE 2.78Å; E317-R333 PolarHBondContact OE2-NE 3.1Å; E317-R333 IonicContact OE2-NH2 3.2Å; E317-R333 PolarHBondContact OE2-NH2 3.43Å; E317-I334 HydrophobicContact CG-CD1 3.95Å; E317-R337 IonicContact OE1-CZ 3.61Å; E317-R337 IonicContact OE1-NE 2.76Å; E317-R337 IonicContact OE1-NH1 3.72Å; E317-R337 PolarHBondContact OE1-NH1 3.43Å
318	Q	98.5	Very high	98.2	Very high	99 Å²	99	43.2 Å²	43.2	46%	0.463	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.8	-178.6	-164.1	177.3	15.5	0	0	111.6	C268 R269 M271 R333	C268-Q318 WeakPolarHBondContact O-CA 3.45Å; R269-Q318 PolarHBondContact O-NE2 3.28Å; M271-Q318 HydrophobicContact CG-CB 4.31Å; M271-Q318 HydrophobicContact CG-CG 4.19Å; M271-Q318 HydrophobicContact SD-CB 3.66Å; M271-Q318 HydrophobicContact SD-CG 4.03Å; Q318-R333 PolarHBondContact O-NH2 3.11Å
319	L	98.8	Very high	98.3	Very high	6 Å²	6	46 Å²	46	3%	0.031	21%	0.213	C	C	.	.			trans	-145.7	113.9	177.1	175.4	64.3	0	0	0	110.4	T243 A267 C268 R269 L321 I327 F330 L376	T243-L319 HydrophobicContact CG2-CD2 3.81Å; A267-L319 HydrophobicContact CB-CB 4.23Å; A267-L319 HydrophobicContact CB-CD2 3.79Å; C268-L319 CarbonylContact C-O 3.56Å; C268-L319 PolarHBondContact O-N 3.07Å; R269-L319 WeakPolarHBondContact CA-O 3.5Å; R269-L319 PolarHBondContact N-O 2.83Å; R269-L319 VanDerWaalsContact N-O 3.1Å; L319-L321 HydrophobicContact CD1-CD2 4.35Å; L319-L321 HydrophobicContact CD2-CD2 4.18Å; L319-L321 HydrophobicContact CD2-CG 4.44Å; L319-L321 HydrophobicContact CG-CD2 4.32Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L319-I327 HydrophobicContact CD1-CB 4.42Å; L319-I327 HydrophobicContact CD1-CG1 3.89Å; L319-F330 HydrophobicContact CB-CD2 3.79Å; L319-F330 HydrophobicContact CB-CE2 4.2Å; L319-F330 HydrophobicContact CB-CG 4.19Å; L319-F330 HydrophobicContact CD1-CB 3.86Å; L319-F330 HydrophobicContact CD1-CD1 4.19Å; L319-F330 HydrophobicContact CD1-CD2 4.38Å; L319-F330 HydrophobicContact CD1-CG 3.9Å; L319-F330 HydrophobicContact CD2-CE2 4.47Å; L319-F330 HydrophobicContact CD2-CZ 4.47Å; L319-F330 HydrophobicContact CG-CD2 4.46Å; L319-F330 HydrophobicContact CG-CG 4.44Å; L319-L376 HydrophobicContact CD2-CD1 4.44Å; L319-L376 HydrophobicContact CD2-CD2 3.91Å
320	D	98.5	Very high	98.3	Very high	41 Å²	41	46 Å²	46	22%	0.219	21%	0.213	C	C	.	.			trans	-99.3	122.9	161.4	-160.6	-10.6	0	0	0	110.6	R269 A322 S326	R269-D320 HydrophobicContact CB-CB 4.45Å; R269-D320 WeakPolarHBondContact CD-OD1 3.2Å; R269-D320 WeakPolarHBondContact CD-OD2 3.38Å; R269-D320 HydrophobicContact CG-CB 3.95Å; R269-D320 IonicContact NH1-OD2 2.69Å; D320-A322 PolarHBondContact O-N 2.92Å; D320-A322 WeakPolarHBondContact OD1-CB 3.28Å; D320-A322 PolarHBondContact OD1-N 3.39Å; D320-S326 PolarHBondContact N-OG 3.45Å
321	L	98.6	Very high	98.4	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6.3	174.9	-67.7	166.8	0	0	0	112.6	L319 S323 I327 A348 V368 P373 L376	L319-L321 HydrophobicContact CD1-CD2 4.35Å; L319-L321 HydrophobicContact CD2-CD2 4.18Å; L319-L321 HydrophobicContact CD2-CG 4.44Å; L319-L321 HydrophobicContact CG-CD2 4.32Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L321-S323 VanDerWaalsContact C-N 3.28Å; L321-I327 HydrophobicContact CD2-CD1 4.23Å; L321-I327 HydrophobicContact CD2-CG1 4.18Å; L321-A348 HydrophobicContact CD1-CB 3.54Å; L321-V368 HydrophobicContact CB-CG1 4.23Å; L321-P373 HydrophobicContact CD1-CG 4.04Å; L321-P373 HydrophobicContact CD2-CG 4.23Å; L321-L376 HydrophobicContact CD2-CD2 4.16Å
322	A	98.3	Very high	98.5	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	13.7	170.5	0	0	0	0	0	113.6	D320 T358 E359 M364 V368	D320-A322 PolarHBondContact O-N 2.92Å; D320-A322 WeakPolarHBondContact OD1-CB 3.28Å; D320-A322 PolarHBondContact OD1-N 3.39Å; A322-T358 HydrophobicContact CB-CG2 4.09Å; A322-T358 WeakPolarHBondContact O-CB 3.33Å; A322-E359 PolarHBondContact O-N 3.28Å; A322-M364 HydrophobicContact CB-CE 4.29Å; A322-M364 HydrophobicContact CB-SD 3.77Å; A322-V368 HydrophobicContact CB-CG2 3.74Å
323	S	98.6	Very high	98.5	Very high	7 Å²	7	36.5 Å²	36.5	5%	0.049	17%	0.173	C	C	.	.			trans	-144.2	111.4	-177.9	168.2	0	0	0	0	110.7	L321 K325 S326 I327 E359 D360	L321-S323 VanDerWaalsContact C-N 3.28Å; S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 PolarHBondContact OG-N 3.22Å; S323-S326 PolarHBondContact O-N 2.95Å; S323-S326 WeakPolarHBondContact OG-CB 3.46Å; S323-S326 PolarHBondContact OG-N 2.89Å; S323-I327 WeakPolarHBondContact O-CD1 3.35Å; S323-I327 WeakPolarHBondContact O-CG1 3.38Å; S323-I327 PolarHBondContact O-N 3.11Å; S323-I327 VanDerWaalsContact O-N 3.12Å; S323-E359 VanDerWaalsContact CB-CD 3.4Å; S323-E359 WeakPolarHBondContact CB-OE1 3.21Å; S323-E359 PolarHBondContact OG-OE1 3.28Å; S323-D360 WeakPolarHBondContact CA-OD2 3.05Å
324	L	98.5	Very high	98.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.11	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-25.9	173.9	-57.9	-172.2	0	0	0	111.8	I327 R328 D360 F362 I371 L375 L534	L324-I327 HydrophobicContact CD2-CD1 4.25Å; L324-R328 VanDerWaalsContact O-CG 3.32Å; L324-R328 WeakPolarHBondContact O-CG 3.42Å; L324-R328 PolarHBondContact O-N 2.93Å; L324-D360 VanDerWaalsContact CB-OD1 3.3Å; L324-D360 WeakPolarHBondContact CB-OD1 3.43Å; L324-D360 HydrophobicContact CD1-CB 4.33Å; L324-D360 HydrophobicContact CG-CB 4.12Å; L324-D360 VanDerWaalsContact CG-CG 3.46Å; L324-D360 WeakPolarHBondContact CG-OD1 3.5Å; L324-D360 PolarHBondContact N-OD1 3.04Å; L324-D360 PolarHBondContact N-OD2 3.1Å; L324-F362 HydrophobicContact CD1-CE2 3.94Å; L324-F362 HydrophobicContact CD1-CZ 4.36Å; L324-F362 HydrophobicContact CD2-CE2 4.19Å; L324-F362 HydrophobicContact CG-CE2 4.16Å; L324-I371 HydrophobicContact CD2-CG2 4.49Å; L324-L375 HydrophobicContact CB-CD2 3.96Å; L324-L375 HydrophobicContact CD2-CD2 3.72Å; L324-L375 HydrophobicContact CG-CD2 4.25Å; L324-L534 HydrophobicContact CD1-CD2 3.59Å; L324-L534 HydrophobicContact CD2-CD2 3.57Å; L324-L534 HydrophobicContact CG-CD2 4.23Å
325	K	98.5	Very high	98.5	Very high	127 Å²	127	38 Å²	38	55%	0.552	18%	0.179	S	C	*	.	H	α-helix	trans	-65.6	-53	171.9	179.3	-176.4	165.9	-175.6	0	111.3	S323 I327 R328 E329	S323-K325 PolarHBondContact O-N 3.44Å; S323-K325 PolarHBondContact OG-N 3.22Å; K325-I327 VanDerWaalsContact C-N 3.26Å; K325-I327 PolarHBondContact O-N 3.48Å; K325-R328 PolarHBondContact O-N 2.86Å; K325-E329 VanDerWaalsContact CE-CD 3.43Å; K325-E329 WeakPolarHBondContact CE-OE1 3.15Å; K325-E329 HydrophobicContact CG-CG 4.38Å; K325-E329 IonicContact NZ-OE1 3.41Å; K325-E329 PolarHBondContact O-N 2.83Å
326	S	98.7	Very high	98.5	Very high	16 Å²	16	39.8 Å²	39.8	11%	0.112	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-37.2	-179.4	-171.6	0	0	0	0	112	D320 S323 F330	D320-S326 PolarHBondContact N-OG 3.45Å; S323-S326 PolarHBondContact O-N 2.95Å; S323-S326 WeakPolarHBondContact OG-CB 3.46Å; S323-S326 PolarHBondContact OG-N 2.89Å; S326-F330 VanDerWaalsContact O-CB 3.25Å; S326-F330 WeakPolarHBondContact O-CB 3.45Å; S326-F330 PolarHBondContact O-N 2.82Å
327	I	98.8	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-45.4	173.9	-68	159.2	0	0	0	111.5	L319 L321 S323 L324 K325 F330 V331 L375 L376 L379	L319-I327 HydrophobicContact CD1-CB 4.42Å; L319-I327 HydrophobicContact CD1-CG1 3.89Å; L321-I327 HydrophobicContact CD2-CD1 4.23Å; L321-I327 HydrophobicContact CD2-CG1 4.18Å; S323-I327 WeakPolarHBondContact O-CD1 3.35Å; S323-I327 WeakPolarHBondContact O-CG1 3.38Å; S323-I327 PolarHBondContact O-N 3.11Å; S323-I327 VanDerWaalsContact O-N 3.12Å; L324-I327 HydrophobicContact CD2-CD1 4.25Å; K325-I327 VanDerWaalsContact C-N 3.26Å; K325-I327 PolarHBondContact O-N 3.48Å; I327-F330 PolarHBondContact O-N 2.9Å; I327-V331 WeakPolarHBondContact O-CG2 3.38Å; I327-V331 PolarHBondContact O-N 2.93Å; I327-L375 HydrophobicContact CB-CD2 4.38Å; I327-L375 HydrophobicContact CG2-CB 4.34Å; I327-L375 HydrophobicContact CG2-CD2 4.02Å; I327-L375 HydrophobicContact CG2-CG 3.99Å; I327-L376 HydrophobicContact CG2-CB 4Å; I327-L376 HydrophobicContact CG2-CD1 4.33Å; I327-L379 HydrophobicContact CG2-CD1 4.33Å
328	R	98.5	Very high	98.5	Very high	78 Å²	78	47.2 Å²	47.2	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-49.5	178.3	-68.2	169.6	-165.4	-81.6	3.6	111.1	L324 K325 F330 V331 D332 L379	L324-R328 VanDerWaalsContact O-CG 3.32Å; L324-R328 WeakPolarHBondContact O-CG 3.42Å; L324-R328 PolarHBondContact O-N 2.93Å; K325-R328 PolarHBondContact O-N 2.86Å; R328-F330 VanDerWaalsContact C-N 3.28Å; R328-F330 PolarHBondContact O-N 2.78Å; R328-V331 PolarHBondContact O-N 3.42Å; R328-D332 PolarHBondContact O-N 2.99Å; R328-L379 HydrophobicContact CG-CD1 3.8Å
329	E	98.7	Very high	98.4	Very high	86 Å²	86	50.2 Å²	50.2	40%	0.402	23%	0.234	S	C	.	.	H	α-helix	trans	-59	-36.8	177	-69.6	177.7	154.8	0	0	112.6	K325 R333	K325-E329 VanDerWaalsContact CE-CD 3.43Å; K325-E329 WeakPolarHBondContact CE-OE1 3.15Å; K325-E329 HydrophobicContact CG-CG 4.38Å; K325-E329 IonicContact NZ-OE1 3.41Å; K325-E329 PolarHBondContact O-N 2.83Å; E329-R333 VanDerWaalsContact C-NH1 3.31Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 3.04Å; E329-R333 PolarHBondContact O-NH1 2.87Å; E329-R333 VanDerWaalsContact O-NH1 3.08Å
330	F	98.8	Very high	98.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-52.7	171.2	170.1	-89.9	0	0	0	110.9	I241 I265 A267 E317 L319 S326 I327 R328 D332 R333 I334 L376	I241-F330 HydrophobicContact CD1-CE1 4.3Å; I241-F330 HydrophobicContact CD1-CZ 4.29Å; I241-F330 HydrophobicContact CG2-CZ 4Å; I265-F330 HydrophobicContact CG2-CE2 4.27Å; I265-F330 HydrophobicContact CG2-CZ 4.18Å; A267-F330 HydrophobicContact CB-CE2 3.59Å; A267-F330 HydrophobicContact CB-CZ 3.74Å; E317-F330 HydrophobicContact CB-CD2 3.93Å; E317-F330 HydrophobicContact CB-CE2 3.57Å; E317-F330 HydrophobicContact CG-CE2 4.41Å; L319-F330 HydrophobicContact CB-CD2 3.79Å; L319-F330 HydrophobicContact CB-CE2 4.2Å; L319-F330 HydrophobicContact CB-CG 4.19Å; L319-F330 HydrophobicContact CD1-CB 3.86Å; L319-F330 HydrophobicContact CD1-CD1 4.19Å; L319-F330 HydrophobicContact CD1-CD2 4.38Å; L319-F330 HydrophobicContact CD1-CG 3.9Å; L319-F330 HydrophobicContact CD2-CE2 4.47Å; L319-F330 HydrophobicContact CD2-CZ 4.47Å; L319-F330 HydrophobicContact CG-CD2 4.46Å; L319-F330 HydrophobicContact CG-CG 4.44Å; S326-F330 VanDerWaalsContact O-CB 3.25Å; S326-F330 WeakPolarHBondContact O-CB 3.45Å; S326-F330 PolarHBondContact O-N 2.82Å; I327-F330 PolarHBondContact O-N 2.9Å; R328-F330 VanDerWaalsContact C-N 3.28Å; R328-F330 PolarHBondContact O-N 2.78Å; F330-D332 VanDerWaalsContact C-N 3.28Å; F330-D332 PolarHBondContact O-N 3.12Å; F330-R333 PolarHBondContact O-N 2.93Å; F330-R333 VanDerWaalsContact O-N 3.11Å; F330-I334 HydrophobicContact CD1-CG1 3.97Å; F330-I334 HydrophobicContact CD2-CG1 4.48Å; F330-I334 HydrophobicContact CE1-CD1 4.28Å; F330-I334 HydrophobicContact CE1-CG1 3.54Å; F330-I334 HydrophobicContact CE2-CD1 4Å; F330-I334 HydrophobicContact CE2-CG1 4.13Å; F330-I334 HydrophobicContact CG-CG1 4.41Å; F330-I334 HydrophobicContact CZ-CD1 3.86Å; F330-I334 HydrophobicContact CZ-CG1 3.64Å; F330-I334 WeakPolarHBondContact O-CG1 3.31Å; F330-I334 PolarHBondContact O-N 3.17Å; F330-L376 HydrophobicContact CD1-CD1 3.67Å; F330-L376 HydrophobicContact CE1-CD1 3.7Å
331	V	98.7	Very high	98.4	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-62.5	-34.7	-176.9	173.5	0	0	0	0	112	I327 R328 I334 K335 L376 L379 L380	I327-V331 WeakPolarHBondContact O-CG2 3.38Å; I327-V331 PolarHBondContact O-N 2.93Å; R328-V331 PolarHBondContact O-N 3.42Å; V331-I334 PolarHBondContact O-N 3.27Å; V331-K335 HydrophobicContact CG1-CD 3.77Å; V331-K335 HydrophobicContact CG1-CG 4.09Å; V331-K335 WeakPolarHBondContact O-CB 3.44Å; V331-K335 WeakPolarHBondContact O-CG 3.43Å; V331-K335 PolarHBondContact O-N 3.37Å; V331-L376 HydrophobicContact CG2-CD1 3.84Å; V331-L379 HydrophobicContact CB-CB 4.37Å; V331-L379 HydrophobicContact CG1-CB 4Å; V331-L379 HydrophobicContact CG2-CB 4.04Å; V331-L380 HydrophobicContact CG1-CD2 4.06Å; V331-L380 HydrophobicContact CG2-CD2 4.03Å; V331-L380 HydrophobicContact CG2-CG 3.93Å
332	D	98.6	Very high	98.4	Very high	100 Å²	100	50.5 Å²	50.5	54%	0.535	23%	0.233	S	C	.	.	H	α-helix	trans	-67.8	-36.5	176	-65.8	-28.4	0	0	0	112.2	R328 F330 S336	R328-D332 PolarHBondContact O-N 2.99Å; F330-D332 VanDerWaalsContact C-N 3.28Å; F330-D332 PolarHBondContact O-N 3.12Å; D332-S336 WeakPolarHBondContact O-CB 3.44Å; D332-S336 PolarHBondContact O-N 3.36Å; D332-S336 PolarHBondContact O-OG 3.32Å
333	R	98.5	Very high	98.4	Very high	69 Å²	69	50.6 Å²	50.6	26%	0.26	23%	0.232	S	C	.	.	H	α-helix	trans	-67.1	-35.7	169.9	-66.2	-170.8	-41	-87.8	1.2	112.5	E317 Q318 E329 F330 S336 R337	E317-R333 IonicContact OE2-CZ 2.71Å; E317-R333 VanDerWaalsContact OE2-CZ 3.23Å; E317-R333 IonicContact OE2-NE 2.78Å; E317-R333 PolarHBondContact OE2-NE 3.1Å; E317-R333 IonicContact OE2-NH2 3.2Å; E317-R333 PolarHBondContact OE2-NH2 3.43Å; Q318-R333 PolarHBondContact O-NH2 3.11Å; E329-R333 VanDerWaalsContact C-NH1 3.31Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 3.04Å; E329-R333 PolarHBondContact O-NH1 2.87Å; E329-R333 VanDerWaalsContact O-NH1 3.08Å; F330-R333 PolarHBondContact O-N 2.93Å; F330-R333 VanDerWaalsContact O-N 3.11Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 2.87Å; R333-R337 WeakPolarHBondContact O-CG 3.49Å; R333-R337 PolarHBondContact O-N 2.75Å
334	I	98.6	Very high	98.5	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.4	-47	173.8	-58.5	-43.3	0	0	0	110.9	I241 I265 E317 F330 V331 S336 R337 Y338 I341 L380 L383	I241-I334 HydrophobicContact CD1-CG2 4.23Å; I265-I334 HydrophobicContact CD1-CD1 4.29Å; I265-I334 HydrophobicContact CG2-CD1 3.99Å; E317-I334 HydrophobicContact CG-CD1 3.95Å; F330-I334 HydrophobicContact CD1-CG1 3.97Å; F330-I334 HydrophobicContact CD2-CG1 4.48Å; F330-I334 HydrophobicContact CE1-CD1 4.28Å; F330-I334 HydrophobicContact CE1-CG1 3.54Å; F330-I334 HydrophobicContact CE2-CD1 4Å; F330-I334 HydrophobicContact CE2-CG1 4.13Å; F330-I334 HydrophobicContact CG-CG1 4.41Å; F330-I334 HydrophobicContact CZ-CD1 3.86Å; F330-I334 HydrophobicContact CZ-CG1 3.64Å; F330-I334 WeakPolarHBondContact O-CG1 3.31Å; F330-I334 PolarHBondContact O-N 3.17Å; V331-I334 PolarHBondContact O-N 3.27Å; I334-S336 VanDerWaalsContact C-N 3.32Å; I334-S336 PolarHBondContact O-N 2.93Å; I334-R337 PolarHBondContact O-N 3.26Å; I334-R337 VanDerWaalsContact O-N 3.16Å; I334-Y338 HydrophobicContact CB-CD2 4.48Å; I334-Y338 HydrophobicContact CD1-CD2 4.44Å; I334-Y338 HydrophobicContact CD1-CE2 4.2Å; I334-Y338 HydrophobicContact CG2-CD2 3.83Å; I334-Y338 WeakPolarHBondContact O-CD2 3.33Å; I334-Y338 PolarHBondContact O-N 3.34Å; I334-I341 HydrophobicContact CG2-CD1 3.98Å; I334-I341 HydrophobicContact CG2-CG1 4.17Å; I334-L380 HydrophobicContact CB-CD2 4.47Å; I334-L380 HydrophobicContact CG2-CD2 4.12Å; I334-L383 HydrophobicContact CG2-CD1 3.66Å
335	K	98.1	Very high	98.5	Very high	53 Å²	53	49.2 Å²	49.2	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-30.6	-179.4	-76	174.9	179.3	167.9	0	113.6	V331 L379 L383	V331-K335 HydrophobicContact CG1-CD 3.77Å; V331-K335 HydrophobicContact CG1-CG 4.09Å; V331-K335 WeakPolarHBondContact O-CB 3.44Å; V331-K335 WeakPolarHBondContact O-CG 3.43Å; V331-K335 PolarHBondContact O-N 3.37Å; K335-L379 WeakPolarHBondContact CE-O 3.45Å; K335-L379 PolarHBondContact NZ-O 3.23Å; K335-L383 HydrophobicContact CG-CD1 3.91Å; K335-L383 HydrophobicContact CG-CD2 4.48Å; K335-L383 HydrophobicContact CG-CG 4.27Å
336	S	98	Very high	98.5	Very high	84 Å²	84	43.5 Å²	43.5	59%	0.587	20%	0.199	S	C	*	.	H	α-helix	trans	-72.8	-31.5	173.7	50.4	0	0	0	0	113	D332 R333 I334	D332-S336 WeakPolarHBondContact O-CB 3.44Å; D332-S336 PolarHBondContact O-N 3.36Å; D332-S336 PolarHBondContact O-OG 3.32Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 2.87Å; I334-S336 VanDerWaalsContact C-N 3.32Å; I334-S336 PolarHBondContact O-N 2.93Å
337	R	97.6	Very high	98.5	Very high	154 Å²	154	43.7 Å²	43.7	58%	0.581	20%	0.199	S	C	*	.	H	α-helix	trans	-93.9	-34.1	-176.1	-68	174.7	179.4	-169.1	-6	114.7	E317 R333 I334	E317-R337 IonicContact OE1-CZ 3.61Å; E317-R337 IonicContact OE1-NE 2.76Å; E317-R337 IonicContact OE1-NH1 3.72Å; E317-R337 PolarHBondContact OE1-NH1 3.43Å; R333-R337 WeakPolarHBondContact O-CG 3.49Å; R333-R337 PolarHBondContact O-N 2.75Å; I334-R337 PolarHBondContact O-N 3.26Å; I334-R337 VanDerWaalsContact O-N 3.16Å
338	Y	98.1	Very high	98.3	Very high	33 Å²	33	44.4 Å²	44.4	13%	0.129	21%	0.205	C	C	.	.			trans	-124.9	140.8	-170.3	-53.3	-77	0	0	0	112.2	I239 I265 I315 I334 I341 L383	I239-Y338 HydrophobicContact CD1-CD1 3.71Å; I239-Y338 HydrophobicContact CD1-CE1 4.25Å; I265-Y338 HydrophobicContact CD1-CD2 3.95Å; I265-Y338 HydrophobicContact CD1-CE1 4.49Å; I265-Y338 HydrophobicContact CD1-CE2 3.56Å; I265-Y338 HydrophobicContact CG1-CE2 4.16Å; I315-Y338 VanDerWaalsContact CD1-OH 3.23Å; I315-Y338 WeakPolarHBondContact CD1-OH 3.23Å; I334-Y338 HydrophobicContact CB-CD2 4.48Å; I334-Y338 HydrophobicContact CD1-CD2 4.44Å; I334-Y338 HydrophobicContact CD1-CE2 4.2Å; I334-Y338 HydrophobicContact CG2-CD2 3.83Å; I334-Y338 WeakPolarHBondContact O-CD2 3.33Å; I334-Y338 PolarHBondContact O-N 3.34Å; Y338-I341 HydrophobicContact CG-CD1 4.44Å; Y338-L383 WeakPolarHBondContact O-CD2 3.34Å
339	K	97.7	Very high	98.1	Very high	161 Å²	161	42.2 Å²	42.2	70%	0.7	21%	0.207	S	C	*	.	S	Bend	trans	-93.1	-16.4	175.9	-56.1	-53.5	-178.3	-169.6	0	113.8	N386	K339-N386 VanDerWaalsContact O-CB 3.25Å; K339-N386 WeakPolarHBondContact O-CB 3.41Å; K339-N386 PolarHBondContact O-ND2 3.07Å
340	K	98.2	Very high	97.8	Very high	61 Å²	61	39.6 Å²	39.6	27%	0.265	20%	0.195	S	C	.	.			trans	-146.5	156.7	-179.5	68.2	157.5	-174.7	142.9	0	110.7	G237 D342 L383 N386 A387	G237-K340 PolarHBondContact O-NZ 3.11Å; K340-D342 WeakPolarHBondContact CE-OD2 3.42Å; K340-D342 VanDerWaalsContact NZ-CG 3.27Å; K340-D342 IonicContact NZ-OD1 2.64Å; K340-D342 PolarHBondContact NZ-OD1 3.1Å; K340-D342 IonicContact NZ-OD2 3.46Å; K340-D342 PolarHBondContact NZ-OD2 3.14Å; K340-L383 CarbonylContact C-O 3.45Å; K340-L383 WeakPolarHBondContact CA-O 3.24Å; K340-N386 HydrophobicContact CB-CB 4.14Å; K340-N386 WeakPolarHBondContact CB-O 3.47Å; K340-A387 HydrophobicContact CB-CB 3.92Å; K340-A387 HydrophobicContact CD-CB 4.36Å
341	I	98.7	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.			trans	-136.8	117.8	166.9	-64.2	-65.2	0	0	0	107.6	I239 I241 I265 I334 Y338 F343 L383 L384 A387	I239-I341 HydrophobicContact CB-CD1 4.38Å; I239-I341 HydrophobicContact CG2-CD1 3.73Å; I241-I341 HydrophobicContact CD1-CD1 3.95Å; I241-I341 HydrophobicContact CD1-CG1 4.02Å; I241-I341 HydrophobicContact CD1-CG2 4Å; I241-I341 HydrophobicContact CG1-CD1 4.14Å; I241-I341 HydrophobicContact CG1-CG2 4.1Å; I265-I341 HydrophobicContact CD1-CD1 3.7Å; I334-I341 HydrophobicContact CG2-CD1 3.98Å; I334-I341 HydrophobicContact CG2-CG1 4.17Å; Y338-I341 HydrophobicContact CG-CD1 4.44Å; I341-F343 WeakPolarHBondContact CG2-O 3.34Å; I341-L383 HydrophobicContact CB-CB 4.26Å; I341-L383 HydrophobicContact CG1-CB 3.94Å; I341-L383 HydrophobicContact CG1-CD1 4.04Å; I341-L383 PolarHBondContact N-O 2.96Å; I341-L384 HydrophobicContact CG2-CD2 4.35Å; I341-L384 WeakPolarHBondContact O-CD2 3.44Å; I341-A387 VanDerWaalsContact C-CB 3.43Å; I341-A387 WeakPolarHBondContact O-CB 3.13Å
342	D	98.7	Very high	96.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.011	21%	0.205	C	C	.	.	S	Bend	trans	-81.9	-29	-174.4	-54.4	-103.3	0	0	0	112.9	K238 I239 K340 A387 S390 R391	K238-D342 WeakPolarHBondContact CA-OD2 3.44Å; K238-D342 HydrophobicContact CB-CB 4.2Å; K238-D342 HydrophobicContact CD-CB 3.73Å; K238-D342 WeakPolarHBondContact CD-OD1 3.11Å; K238-D342 WeakPolarHBondContact CE-OD1 3.48Å; K238-D342 IonicContact NZ-OD1 3.43Å; K238-D342 PolarHBondContact NZ-OD1 3.03Å; I239-D342 PolarHBondContact N-OD2 2.72Å; I239-D342 PolarHBondContact O-N 2.72Å; K340-D342 WeakPolarHBondContact CE-OD2 3.42Å; K340-D342 VanDerWaalsContact NZ-CG 3.27Å; K340-D342 IonicContact NZ-OD1 2.64Å; K340-D342 PolarHBondContact NZ-OD1 3.1Å; K340-D342 IonicContact NZ-OD2 3.46Å; K340-D342 PolarHBondContact NZ-OD2 3.14Å; D342-A387 HydrophobicContact CB-CB 4.42Å; D342-S390 CarbonylContact O-C 3.4Å; D342-S390 VanDerWaalsContact O-CA 3.23Å; D342-S390 WeakPolarHBondContact O-CA 3.46Å; D342-S390 VanDerWaalsContact O-CB 3.3Å; D342-S390 WeakPolarHBondContact O-CB 3.36Å; D342-R391 PolarHBondContact O-N 3.12Å
343	F	98.8	Very high	96.4	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.6	177.7	-55.2	-91.5	0	0	0	111.9	L235 K238 I239 A240 I241 I341 R391 A494	L235-F343 HydrophobicContact CD2-CE2 4.04Å; L235-F343 HydrophobicContact CD2-CZ 3.83Å; K238-F343 HydrophobicContact CB-CD2 4.5Å; K238-F343 HydrophobicContact CB-CE2 3.95Å; K238-F343 HydrophobicContact CG-CE2 4.23Å; I239-F343 PolarHBondContact O-N 3.48Å; I239-F343 VanDerWaalsContact O-N 3.09Å; A240-F343 CarbonylContact C-O 3.57Å; A240-F343 WeakPolarHBondContact CA-O 3.36Å; A240-F343 HydrophobicContact CB-CB 3.85Å; A240-F343 HydrophobicContact CB-CD2 4.23Å; A240-F343 HydrophobicContact CB-CG 4.43Å; I241-F343 PolarHBondContact N-O 2.87Å; I341-F343 WeakPolarHBondContact CG2-O 3.34Å; F343-R391 WeakPolarHBondContact CA-O 3.46Å; F343-R391 HydrophobicContact CD1-CB 3.98Å; F343-R391 HydrophobicContact CD1-CG 4.22Å; F343-R391 HydrophobicContact CE1-CB 4.41Å; F343-R391 HydrophobicContact CE1-CG 4.15Å; F343-A494 HydrophobicContact CD1-CB 4.44Å; F343-A494 HydrophobicContact CE1-CB 4.31Å; F343-A494 VanDerWaalsContact CE1-O 3.29Å; F343-A494 WeakPolarHBondContact CE1-O 3.46Å
344	L	98.9	Very high	96.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.7	164.2	174.7	60.3	0	0	0	109.1	I241 L376 T377 L380 L384 R391 I392 I393	I241-L344 HydrophobicContact CB-CD1 3.96Å; I241-L344 HydrophobicContact CG2-CD1 3.84Å; L344-L376 HydrophobicContact CD1-CD2 4.3Å; L344-T377 HydrophobicContact CD2-CG2 4.17Å; L344-L380 HydrophobicContact CD1-CD1 3.98Å; L344-L380 HydrophobicContact CD2-CD1 4.03Å; L344-L384 HydrophobicContact CB-CD1 4.29Å; L344-L384 HydrophobicContact CB-CD2 4.13Å; L344-L384 HydrophobicContact CD2-CD1 4.17Å; L344-R391 PolarHBondContact N-O 2.78Å; L344-I392 WeakPolarHBondContact O-CA 3.49Å; L344-I393 PolarHBondContact O-N 3.38Å
345	I	98.9	Very high	96	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	99.8	179.1	-51.2	-171.9	0	0	0	108.9	I241 V242 T243 T253 L257 N347 I393 T490	I241-I345 PolarHBondContact O-N 2.91Å; V242-I345 HydrophobicContact CG1-CB 4.32Å; V242-I345 HydrophobicContact CG1-CG2 4.42Å; V242-I345 HydrophobicContact CG2-CB 4.34Å; V242-I345 HydrophobicContact CG2-CD1 4.25Å; T243-I345 PolarHBondContact N-O 3.47Å; T243-I345 PolarHBondContact OG1-O 3.15Å; T253-I345 HydrophobicContact CG2-CD1 3.77Å; T253-I345 HydrophobicContact CG2-CG2 4.5Å; L257-I345 HydrophobicContact CD1-CD1 3.57Å; I345-N347 HydrophobicContact CG2-CB 4.02Å; I345-N347 PolarHBondContact O-N 2.88Å; I345-I393 HydrophobicContact CD1-CD1 4.4Å; I345-I393 HydrophobicContact CG1-CB 4.4Å; I345-I393 HydrophobicContact CG1-CD1 4.3Å; I345-I393 HydrophobicContact CG2-CB 4.45Å; I345-T490 HydrophobicContact CD1-CG2 4.34Å; I345-T490 HydrophobicContact CG2-CG2 3.78Å
346	N	98.8	Very high	95.9	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.032	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	74	173.4	-70.1	-39.8	0	0	0	109	P373 T377 I393 N394 V395	N346-P373 HydrophobicContact CB-CB 4.3Å; N346-T377 PolarHBondContact ND2-OG1 3.17Å; N346-I393 PolarHBondContact N-O 2.88Å; N346-N394 PolarHBondContact ND2-OD1 3.5Å; N346-V395 PolarHBondContact O-N 3.45Å
347	N	98.1	Very high	95.9	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.107	22%	0.22	C	C	.	.			trans	-91.7	-31.6	-178.2	159	91.7	0	0	0	113.3	V242 T243 G250 I345 V395	V242-N347 HydrophobicContact CG1-CB 4.33Å; T243-N347 WeakPolarHBondContact O-CB 3.41Å; T243-N347 PolarHBondContact O-ND2 2.78Å; T243-N347 PolarHBondContact OG1-N 3.42Å; T243-N347 VanDerWaalsContact OG1-N 3.1Å; G250-N347 VanDerWaalsContact CA-ND2 3.34Å; G250-N347 WeakPolarHBondContact CA-ND2 3.3Å; G250-N347 WeakPolarHBondContact CA-OD1 3.39Å; G250-N347 PolarHBondContact N-OD1 2.93Å; I345-N347 HydrophobicContact CG2-CB 4.02Å; I345-N347 PolarHBondContact O-N 2.88Å; N347-V395 HydrophobicContact CB-CG2 3.99Å
348	A	95.7	Very high	96	Very high	16 Å²	16	37.4 Å²	37.4	13%	0.132	19%	0.194	C	C	.	.			trans	-58.2	142.2	-176.2	0	0	0	0	0	112.4	T243 L321	T243-A348 PolarHBondContact O-N 3.12Å; T243-A348 VanDerWaalsContact O-N 3.09Å; T243-A348 WeakPolarHBondContact OG1-CB 3.25Å; T243-A348 PolarHBondContact OG1-N 2.94Å; L321-A348 HydrophobicContact CD1-CB 3.54Å
349	G	93.6	Very high	95.9	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	22%	0.218	S	C	.	.			trans	-175	165.6	172.4	0	0	0	0	0	112.7	N369	G349-N369 WeakPolarHBondContact CA-OD1 3.28Å
350	L	92.8	Very high	95.9	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.168	20%	0.2	C	C	.	.			trans	-142.9	172.1	178.2	54.5	63.8	0	0	0	111.5	L352 M364 T365 V368 N369 Y423	L350-L352 HydrophobicContact CD1-CG 4.37Å; L350-M364 HydrophobicContact CD1-CG 4.4Å; L350-M364 HydrophobicContact CD2-CG 4.16Å; L350-T365 HydrophobicContact CD1-CG2 4.3Å; L350-V368 HydrophobicContact CD1-CB 4.38Å; L350-V368 HydrophobicContact CD2-CB 4.15Å; L350-V368 HydrophobicContact CD2-CG1 4.08Å; L350-V368 HydrophobicContact CD2-CG2 4.07Å; L350-V368 HydrophobicContact CG-CB 4.01Å; L350-V368 HydrophobicContact CG-CG1 3.86Å; L350-V368 HydrophobicContact CG-CG2 4.48Å; L350-N369 PolarHBondContact N-OD1 2.72Å; L350-N369 PolarHBondContact O-ND2 3.12Å; L350-N369 PolarHBondContact O-OD1 3.37Å; L350-Y423 WeakPolarHBondContact O-CD2 3.43Å; L350-Y423 WeakPolarHBondContact O-CE2 3.26Å
351	I	90.5	Very high	95.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	21%	0.207	C	C	.	.			trans	-139	144.5	162.2	-164.8	170.9	0	0	0	107.5	T419 M420 Y423 L460 N463 L464	I351-T419 HydrophobicContact CD1-CG2 3.64Å; I351-T419 HydrophobicContact CG1-CG2 3.49Å; I351-T419 VanDerWaalsContact CG1-CG2 3.49Å; I351-M420 HydrophobicContact CD1-SD 3.96Å; I351-Y423 HydrophobicContact CB-CD2 3.9Å; I351-Y423 HydrophobicContact CB-CE2 4.35Å; I351-Y423 HydrophobicContact CB-CG 4.39Å; I351-Y423 HydrophobicContact CD1-CD1 4.13Å; I351-Y423 HydrophobicContact CD1-CD2 4.04Å; I351-Y423 HydrophobicContact CD1-CG 3.63Å; I351-Y423 HydrophobicContact CG1-CD2 4Å; I351-Y423 HydrophobicContact CG1-CG 4.05Å; I351-L460 HydrophobicContact CB-CD2 4Å; I351-L460 HydrophobicContact CB-CG 4.34Å; I351-L460 HydrophobicContact CG2-CD2 3.67Å; I351-L460 HydrophobicContact CG2-CG 3.87Å; I351-L460 WeakPolarHBondContact CG2-O 3.3Å; I351-N463 PolarHBondContact O-ND2 2.86Å; I351-L464 HydrophobicContact CG2-CD1 4.34Å; I351-L464 HydrophobicContact CG2-CD2 4.49Å; I351-L464 HydrophobicContact CG2-CG 4.37Å
352	L	89	Confident	95.8	Very high	35 Å²	35	37.1 Å²	37.1	18%	0.183	21%	0.211	C	C	.	.			trans	-128.6	137	179.5	-67.5	-178.6	0	0	0	111.2	L350 N354 T356 M364 Y417 T419	L350-L352 HydrophobicContact CD1-CG 4.37Å; L352-N354 VanDerWaalsContact C-N 3.32Å; L352-T356 VanDerWaalsContact CD1-OG1 3.29Å; L352-T356 WeakPolarHBondContact CD1-OG1 3.39Å; L352-M364 HydrophobicContact CD1-CB 3.94Å; L352-M364 HydrophobicContact CD1-CG 3.57Å; L352-Y417 PolarHBondContact O-OH 3.14Å; L352-T419 WeakPolarHBondContact O-CG2 3.46Å; L352-T419 PolarHBondContact O-OG1 3.24Å; L352-T419 VanDerWaalsContact O-OG1 3.07Å
353	Q	87.4	Confident	95.7	Very high	63 Å²	63	37.1 Å²	37.1	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-71.4	-28.2	175.6	-178.8	164.3	-0	0	0	112.7	T419 N463 L464 T465 S466	Q353-T419 PolarHBondContact O-OG1 2.96Å; Q353-N463 VanDerWaalsContact CB-O 3.32Å; Q353-N463 WeakPolarHBondContact CB-O 3.38Å; Q353-N463 PolarHBondContact OE1-O 3.21Å; Q353-L464 HydrophobicContact CB-CD2 4.42Å; Q353-T465 VanDerWaalsContact OE1-N 3.11Å; Q353-T465 PolarHBondContact OE1-OG1 3.23Å; Q353-S466 PolarHBondContact NE2-OG 3.46Å
354	N	91.8	Very high	95.7	Very high	121 Å²	121	38 Å²	38	65%	0.647	22%	0.215	S	C	*	.	S	Bend	trans	-115.3	140.5	-177.3	-64.2	-48	0	0	0	110.8	L352 T356	L352-N354 VanDerWaalsContact C-N 3.32Å; N354-T356 PolarHBondContact O-N 2.97Å
355	Y	96.1	Very high	95.6	Very high	61 Å²	61	38 Å²	38	24%	0.239	22%	0.215	C	C	.	.			trans	-61	122.7	172.9	-179.6	-85.4	0	0	0	111.4	T357 E363 Y412 K414 Y417	Y355-T357 HydrophobicContact CE1-CG2 3.77Å; Y355-T357 WeakPolarHBondContact OH-CG2 3.33Å; Y355-E363 HydrophobicContact CD2-CG 3.99Å; Y355-E363 HydrophobicContact CE2-CB 4.05Å; Y355-E363 HydrophobicContact CE2-CG 3.71Å; Y355-Y412 WeakPolarHBondContact CE2-O 3.45Å; Y355-K414 HydrophobicContact CD1-CB 3.6Å; Y355-K414 HydrophobicContact CD1-CD 3.93Å; Y355-K414 HydrophobicContact CD1-CG 3.63Å; Y355-K414 HydrophobicContact CD2-CB 4.24Å; Y355-K414 HydrophobicContact CE1-CB 3.71Å; Y355-K414 HydrophobicContact CE1-CD 4.34Å; Y355-K414 HydrophobicContact CE1-CG 4.18Å; Y355-K414 HydrophobicContact CE2-CB 4.31Å; Y355-K414 HydrophobicContact CG-CB 3.89Å; Y355-K414 HydrophobicContact CG-CG 3.95Å; Y355-Y417 AromaticContact CD2-CD2 3.71Å; Y355-Y417 HydrophobicContact CD2-CD2 3.71Å; Y355-Y417 HydrophobicContact CD2-CE2 4.44Å; Y355-Y417 AromaticContact CD2-CG 3.9Å; Y355-Y417 HydrophobicContact CD2-CG 3.9Å; Y355-Y417 HydrophobicContact CG-CG 4.4Å
356	T	97.2	Very high	95.5	Very high	60 Å²	60	38.1 Å²	38.1	37%	0.368	22%	0.216	S	C	.	.			trans	-137.1	169.9	166.8	61.4	0	0	0	0	109.3	L352 N354 M364	L352-T356 VanDerWaalsContact CD1-OG1 3.29Å; L352-T356 WeakPolarHBondContact CD1-OG1 3.39Å; N354-T356 PolarHBondContact O-N 2.97Å; T356-M364 WeakPolarHBondContact O-CB 3.47Å; T356-M364 PolarHBondContact O-N 3.02Å; T356-M364 WeakPolarHBondContact OG1-CB 3.5Å
357	T	98	Very high	95.5	Very high	62 Å²	62	37.9 Å²	37.9	38%	0.38	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-119.6	156.8	177.7	54.6	0	0	0	0	112.7	Y355 F362 M364	Y355-T357 HydrophobicContact CE1-CG2 3.77Å; Y355-T357 WeakPolarHBondContact OH-CG2 3.33Å; T357-F362 CarbonylContact C-O 3.59Å; T357-F362 WeakPolarHBondContact CA-O 3.26Å; T357-F362 VanDerWaalsContact CB-O 3.27Å; T357-F362 WeakPolarHBondContact CB-O 3.34Å; T357-M364 WeakPolarHBondContact O-CE 3.43Å
358	T	98.1	Very high	95.5	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.043	21%	0.213	C	C	.	.			trans	-61.2	170.6	161.3	63.7	0	0	0	0	110.9	A322 D360 G361 F362 M364	A322-T358 HydrophobicContact CB-CG2 4.09Å; A322-T358 WeakPolarHBondContact O-CB 3.33Å; T358-D360 PolarHBondContact O-N 3.41Å; T358-D360 PolarHBondContact OG1-N 3.44Å; T358-G361 PolarHBondContact O-N 3.23Å; T358-G361 VanDerWaalsContact O-N 3.11Å; T358-G361 PolarHBondContact OG1-N 3.32Å; T358-F362 HydrophobicContact CG2-CB 4.21Å; T358-F362 PolarHBondContact N-O 3.34Å; T358-F362 PolarHBondContact OG1-N 3.23Å; T358-M364 HydrophobicContact CG2-SD 4.17Å
359	E	96.8	Very high	95.6	Very high	132 Å²	132	36.8 Å²	36.8	62%	0.617	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.1	172.4	70.8	-174.9	-154.3	0	0	111.5	A322 S323 G361	A322-E359 PolarHBondContact O-N 3.28Å; S323-E359 VanDerWaalsContact CB-CD 3.4Å; S323-E359 WeakPolarHBondContact CB-OE1 3.21Å; S323-E359 PolarHBondContact OG-OE1 3.28Å; E359-G361 PolarHBondContact O-N 3.47Å
360	D	97.6	Very high	95.8	Very high	61 Å²	61	35.4 Å²	35.4	33%	0.326	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.1	175.9	-41.8	-94.9	0	0	0	114.1	S323 L324 T358 F362	S323-D360 WeakPolarHBondContact CA-OD2 3.05Å; L324-D360 VanDerWaalsContact CB-OD1 3.3Å; L324-D360 WeakPolarHBondContact CB-OD1 3.43Å; L324-D360 HydrophobicContact CD1-CB 4.33Å; L324-D360 HydrophobicContact CG-CB 4.12Å; L324-D360 VanDerWaalsContact CG-CG 3.46Å; L324-D360 WeakPolarHBondContact CG-OD1 3.5Å; L324-D360 PolarHBondContact N-OD1 3.04Å; L324-D360 PolarHBondContact N-OD2 3.1Å; T358-D360 PolarHBondContact O-N 3.41Å; T358-D360 PolarHBondContact OG1-N 3.44Å; D360-F362 HydrophobicContact CB-CD2 3.98Å; D360-F362 HydrophobicContact CB-CE2 3.7Å
361	G	97	Very high	96.1	Very high	41 Å²	41	33.9 Å²	33.9	42%	0.423	18%	0.184	S	C	.	.	S	Bend	trans	86.9	2.6	172.9	0	0	0	0	0	117.3	T358 E359	T358-G361 PolarHBondContact O-N 3.23Å; T358-G361 VanDerWaalsContact O-N 3.11Å; T358-G361 PolarHBondContact OG1-N 3.32Å; E359-G361 PolarHBondContact O-N 3.47Å
362	F	97.7	Very high	96.5	Very high	16 Å²	16	33.7 Å²	33.7	7%	0.07	18%	0.184	C	C	.	.	S	Bend	trans	-71.6	151.4	173.1	-53.6	-63.2	0	0	0	111.5	L324 T357 T358 D360 M364 I371 L533	L324-F362 HydrophobicContact CD1-CE2 3.94Å; L324-F362 HydrophobicContact CD1-CZ 4.36Å; L324-F362 HydrophobicContact CD2-CE2 4.19Å; L324-F362 HydrophobicContact CG-CE2 4.16Å; T357-F362 CarbonylContact C-O 3.59Å; T357-F362 WeakPolarHBondContact CA-O 3.26Å; T357-F362 VanDerWaalsContact CB-O 3.27Å; T357-F362 WeakPolarHBondContact CB-O 3.34Å; T358-F362 HydrophobicContact CG2-CB 4.21Å; T358-F362 PolarHBondContact N-O 3.34Å; T358-F362 PolarHBondContact OG1-N 3.23Å; D360-F362 HydrophobicContact CB-CD2 3.98Å; D360-F362 HydrophobicContact CB-CE2 3.7Å; F362-M364 PolarHBondContact O-N 3.14Å; F362-I371 HydrophobicContact CB-CD1 4.13Å; F362-I371 HydrophobicContact CD1-CD1 3.63Å; F362-I371 HydrophobicContact CD2-CD1 4.38Å; F362-I371 HydrophobicContact CD2-CG2 4.08Å; F362-I371 HydrophobicContact CE1-CD1 4.17Å; F362-I371 HydrophobicContact CE2-CG2 3.92Å; F362-I371 HydrophobicContact CG-CD1 3.77Å; F362-I371 HydrophobicContact CG-CG2 4.49Å; F362-I371 HydrophobicContact CZ-CG2 4.19Å; F362-L533 HydrophobicContact CE1-CB 4.09Å
363	E	97.6	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-57.6	125.9	169.1	-175	-77.4	123.9	0	0	109.1	Y355 T365 M366 G367 Q411 Y417	Y355-E363 HydrophobicContact CD2-CG 3.99Å; Y355-E363 HydrophobicContact CE2-CB 4.05Å; Y355-E363 HydrophobicContact CE2-CG 3.71Å; E363-T365 VanDerWaalsContact C-N 3.27Å; E363-T365 VanDerWaalsContact CD-N 3.32Å; E363-T365 PolarHBondContact O-N 3.47Å; E363-T365 VanDerWaalsContact O-N 3.12Å; E363-T365 WeakPolarHBondContact OE1-CA 3.5Å; E363-T365 WeakPolarHBondContact OE1-CB 3.14Å; E363-T365 PolarHBondContact OE1-N 2.8Å; E363-T365 PolarHBondContact OE1-OG1 3.33Å; E363-T365 VanDerWaalsContact OE2-CB 3.27Å; E363-T365 WeakPolarHBondContact OE2-CB 3.43Å; E363-T365 PolarHBondContact OE2-N 3.45Å; E363-M366 HydrophobicContact CB-CB 4.47Å; E363-M366 PolarHBondContact O-N 3.27Å; E363-M366 VanDerWaalsContact O-N 3.11Å; E363-M366 PolarHBondContact OE2-N 3.4Å; E363-G367 PolarHBondContact O-N 3.39Å; E363-Q411 HydrophobicContact CB-CB 4.1Å; E363-Q411 HydrophobicContact CB-CG 4.44Å; E363-Y417 HydrophobicContact CG-CD2 4.07Å; E363-Y417 HydrophobicContact CG-CE2 3.89Å; E363-Y417 VanDerWaalsContact OE1-CE2 3.28Å; E363-Y417 WeakPolarHBondContact OE1-CE2 3.23Å
364	M	97.9	Very high	97.5	Very high	29 Å²	29	29.2 Å²	29.2	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-57.2	-35.2	-164.5	-178.2	64.4	79.5	0	0	114.3	A322 L350 L352 T356 T357 T358 F362 V368	A322-M364 HydrophobicContact CB-CE 4.29Å; A322-M364 HydrophobicContact CB-SD 3.77Å; L350-M364 HydrophobicContact CD1-CG 4.4Å; L350-M364 HydrophobicContact CD2-CG 4.16Å; L352-M364 HydrophobicContact CD1-CB 3.94Å; L352-M364 HydrophobicContact CD1-CG 3.57Å; T356-M364 WeakPolarHBondContact O-CB 3.47Å; T356-M364 PolarHBondContact O-N 3.02Å; T356-M364 WeakPolarHBondContact OG1-CB 3.5Å; T357-M364 WeakPolarHBondContact O-CE 3.43Å; T358-M364 HydrophobicContact CG2-SD 4.17Å; F362-M364 PolarHBondContact O-N 3.14Å; M364-V368 WeakPolarHBondContact O-CB 3.45Å; M364-V368 PolarHBondContact O-N 2.85Å; M364-V368 HydrophobicContact SD-CG2 3.69Å
365	T	96.9	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-68.1	-49.9	178.1	-37.3	0	0	0	0	110.9	L350 E363 N369 Y417 Y423	L350-T365 HydrophobicContact CD1-CG2 4.3Å; E363-T365 VanDerWaalsContact C-N 3.27Å; E363-T365 VanDerWaalsContact CD-N 3.32Å; E363-T365 PolarHBondContact O-N 3.47Å; E363-T365 VanDerWaalsContact O-N 3.12Å; E363-T365 WeakPolarHBondContact OE1-CA 3.5Å; E363-T365 WeakPolarHBondContact OE1-CB 3.14Å; E363-T365 PolarHBondContact OE1-N 2.8Å; E363-T365 PolarHBondContact OE1-OG1 3.33Å; E363-T365 VanDerWaalsContact OE2-CB 3.27Å; E363-T365 WeakPolarHBondContact OE2-CB 3.43Å; E363-T365 PolarHBondContact OE2-N 3.45Å; T365-N369 WeakPolarHBondContact CG2-ND2 3.5Å; T365-N369 WeakPolarHBondContact O-CB 3.46Å; T365-N369 PolarHBondContact O-N 3.22Å; T365-Y417 PolarHBondContact OG1-OH 2.78Å; T365-Y417 VanDerWaalsContact OG1-OH 3.14Å; T365-Y423 HydrophobicContact CG2-CD2 4.04Å
366	M	97.8	Very high	97.9	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-61.7	-43.3	173.2	-177.2	59.5	70.1	0	0	112.4	E363 Y370 I371 L410 Q411 L425 A429	E363-M366 HydrophobicContact CB-CB 4.47Å; E363-M366 PolarHBondContact O-N 3.27Å; E363-M366 VanDerWaalsContact O-N 3.11Å; E363-M366 PolarHBondContact OE2-N 3.4Å; M366-Y370 PolarHBondContact O-N 3.08Å; M366-Y370 HydrophobicContact SD-CD1 3.58Å; M366-Y370 VanDerWaalsContact SD-CD1 3.58Å; M366-Y370 HydrophobicContact SD-CG 4.18Å; M366-I371 HydrophobicContact CG-CD1 3.7Å; M366-I371 HydrophobicContact CG-CG1 3.98Å; M366-I371 PolarHBondContact O-N 2.99Å; M366-L410 VanDerWaalsContact CE-O 3.23Å; M366-L410 WeakPolarHBondContact CE-O 3.45Å; M366-Q411 HydrophobicContact CB-CB 4.21Å; M366-Q411 HydrophobicContact CG-CB 4.13Å; M366-L425 HydrophobicContact CE-CD2 4.12Å; M366-L425 HydrophobicContact CE-CG 3.7Å; M366-A429 HydrophobicContact SD-CB 4.41Å
367	G	98.1	Very high	98	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	10%	0.102	C	C	.	.	I	π-helix	trans	-55.2	-62.6	177.9	0	0	0	0	0	112.1	E363 I371 G372	E363-G367 PolarHBondContact O-N 3.39Å; G367-I371 PolarHBondContact O-N 2.77Å; G367-G372 PolarHBondContact O-N 3.16Å
368	V	98.2	Very high	98	Very high	12 Å²	12	15.2 Å²	15.2	7%	0.073	9%	0.086	C	C	.	.	I	π-helix	trans	-72.4	-38.7	-174.9	172.8	0	0	0	0	112.8	L321 A322 L350 M364 P373	L321-V368 HydrophobicContact CB-CG1 4.23Å; A322-V368 HydrophobicContact CB-CG2 3.74Å; L350-V368 HydrophobicContact CD1-CB 4.38Å; L350-V368 HydrophobicContact CD2-CB 4.15Å; L350-V368 HydrophobicContact CD2-CG1 4.08Å; L350-V368 HydrophobicContact CD2-CG2 4.07Å; L350-V368 HydrophobicContact CG-CB 4.01Å; L350-V368 HydrophobicContact CG-CG1 3.86Å; L350-V368 HydrophobicContact CG-CG2 4.48Å; M364-V368 WeakPolarHBondContact O-CB 3.45Å; M364-V368 PolarHBondContact O-N 2.85Å; M364-V368 HydrophobicContact SD-CG2 3.69Å; V368-P373 VanDerWaalsContact O-CD 3.24Å; V368-P373 WeakPolarHBondContact O-CD 3.47Å; V368-P373 WeakPolarHBondContact O-CG 3.46Å
369	N	97.9	Very high	97.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.091	C	C	.	.	I	π-helix	trans	-81.8	-22.2	-174.8	-62.2	-7.4	0	0	0	113.3	G349 L350 T365 S426 N430	G349-N369 WeakPolarHBondContact CA-OD1 3.28Å; L350-N369 PolarHBondContact N-OD1 2.72Å; L350-N369 PolarHBondContact O-ND2 3.12Å; L350-N369 PolarHBondContact O-OD1 3.37Å; T365-N369 WeakPolarHBondContact CG2-ND2 3.5Å; T365-N369 WeakPolarHBondContact O-CB 3.46Å; T365-N369 PolarHBondContact O-N 3.22Å; N369-S426 PolarHBondContact ND2-OG 2.91Å; N369-N430 PolarHBondContact O-ND2 3.31Å
370	Y	98.4	Very high	98	Very high	1 Å²	1	9.9 Å²	9.9	0%	0.004	6%	0.062	C	C	.	.	I	π-helix	trans	-137.5	-58.5	-174.3	170.7	-113.2	0	0	0	115.1	M366 G372 P373 F374 A429 H433 F526 T530	M366-Y370 PolarHBondContact O-N 3.08Å; M366-Y370 HydrophobicContact SD-CD1 3.58Å; M366-Y370 VanDerWaalsContact SD-CD1 3.58Å; M366-Y370 HydrophobicContact SD-CG 4.18Å; Y370-G372 PolarHBondContact O-N 3.19Å; Y370-P373 WeakPolarHBondContact O-CD 3.23Å; Y370-F374 HydrophobicContact CD2-CB 4.48Å; Y370-F374 HydrophobicContact CE2-CB 4Å; Y370-F374 AromaticContact CE2-CD2 3.74Å; Y370-F374 HydrophobicContact CE2-CD2 3.74Å; Y370-F374 HydrophobicContact CE2-CG 4.25Å; Y370-F374 AromaticContact CZ-CD2 3.76Å; Y370-F374 WeakPolarHBondContact O-CB 3.13Å; Y370-F374 PolarHBondContact O-N 3.37Å; Y370-F374 VanDerWaalsContact OH-CD2 3.28Å; Y370-F374 WeakPolarHBondContact OH-CD2 3.38Å; Y370-A429 HydrophobicContact CD1-CB 3.69Å; Y370-A429 HydrophobicContact CD2-CB 3.69Å; Y370-A429 HydrophobicContact CE1-CB 4.17Å; Y370-A429 HydrophobicContact CE2-CB 4.2Å; Y370-A429 HydrophobicContact CG-CB 3.4Å; Y370-A429 VanDerWaalsContact CG-CB 3.4Å; Y370-H433 HydrophobicContact CD2-CB 4.48Å; Y370-H433 HydrophobicContact CE2-CB 3.81Å; Y370-F526 HydrophobicContact CD1-CE1 4.25Å; Y370-F526 HydrophobicContact CE1-CD1 4.34Å; Y370-F526 AromaticContact CE1-CE1 3.59Å; Y370-F526 HydrophobicContact CE1-CE1 3.59Å; Y370-F526 AromaticContact CZ-CE1 3.85Å; Y370-T530 HydrophobicContact CE1-CG2 3.75Å; Y370-T530 VanDerWaalsContact CE1-OG1 3.32Å; Y370-T530 WeakPolarHBondContact CE1-OG1 3.39Å; Y370-T530 WeakPolarHBondContact OH-CB 3.36Å; Y370-T530 WeakPolarHBondContact OH-CG2 3.16Å; Y370-T530 PolarHBondContact OH-OG1 3.3Å
371	I	98.3	Very high	98	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	5%	0.048	C	C	.	.	I	π-helix	trans	-64.2	-42.3	-169.8	-64	175.9	0	0	0	111.3	L324 F362 M366 G367 F374 L375 L534	L324-I371 HydrophobicContact CD2-CG2 4.49Å; F362-I371 HydrophobicContact CB-CD1 4.13Å; F362-I371 HydrophobicContact CD1-CD1 3.63Å; F362-I371 HydrophobicContact CD2-CD1 4.38Å; F362-I371 HydrophobicContact CD2-CG2 4.08Å; F362-I371 HydrophobicContact CE1-CD1 4.17Å; F362-I371 HydrophobicContact CE2-CG2 3.92Å; F362-I371 HydrophobicContact CG-CD1 3.77Å; F362-I371 HydrophobicContact CG-CG2 4.49Å; F362-I371 HydrophobicContact CZ-CG2 4.19Å; M366-I371 HydrophobicContact CG-CD1 3.7Å; M366-I371 HydrophobicContact CG-CG1 3.98Å; M366-I371 PolarHBondContact O-N 2.99Å; G367-I371 PolarHBondContact O-N 2.77Å; I371-F374 WeakPolarHBondContact O-CB 3.23Å; I371-F374 PolarHBondContact O-N 2.89Å; I371-L375 PolarHBondContact O-N 3.19Å; I371-L534 HydrophobicContact CG2-CD1 4.39Å; I371-L534 HydrophobicContact CG2-CD2 3.6Å; I371-L534 HydrophobicContact CG2-CG 4.05Å
372	G	98.5	Very high	98	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.01	4%	0.039	C	C	.	.	H	α-helix	trans	-61.9	-54.7	173.6	0	0	0	0	0	112.7	G367 Y370 F374 L375 L376	G367-G372 PolarHBondContact O-N 3.16Å; Y370-G372 PolarHBondContact O-N 3.19Å; G372-F374 VanDerWaalsContact C-N 3.25Å; G372-F374 PolarHBondContact O-N 3.01Å; G372-L375 PolarHBondContact O-N 2.85Å; G372-L376 VanDerWaalsContact O-CB 3.32Å; G372-L376 WeakPolarHBondContact O-CB 3.43Å; G372-L376 PolarHBondContact O-N 2.82Å
373	P	98.7	Very high	98	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.019	4%	0.039	C	C	.	.	H	α-helix	trans	-54.2	-33.3	171.3	-31.6	37	0	0	0	115.3	L321 N346 V368 Y370 T377	L321-P373 HydrophobicContact CD1-CG 4.04Å; L321-P373 HydrophobicContact CD2-CG 4.23Å; N346-P373 HydrophobicContact CB-CB 4.3Å; V368-P373 VanDerWaalsContact O-CD 3.24Å; V368-P373 WeakPolarHBondContact O-CD 3.47Å; V368-P373 WeakPolarHBondContact O-CG 3.46Å; Y370-P373 WeakPolarHBondContact O-CD 3.23Å; P373-T377 VanDerWaalsContact O-CB 3.3Å; P373-T377 WeakPolarHBondContact O-CB 3.05Å; P373-T377 PolarHBondContact O-N 3.41Å; P373-T377 PolarHBondContact O-OG1 2.99Å
374	F	98.5	Very high	98	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-65.9	-55	174.9	-175.1	-85.7	0	0	0	110.7	Y370 I371 G372 L376 T377 E378 H433 W527 T530 L534 I536	Y370-F374 HydrophobicContact CD2-CB 4.48Å; Y370-F374 HydrophobicContact CE2-CB 4Å; Y370-F374 AromaticContact CE2-CD2 3.74Å; Y370-F374 HydrophobicContact CE2-CD2 3.74Å; Y370-F374 HydrophobicContact CE2-CG 4.25Å; Y370-F374 AromaticContact CZ-CD2 3.76Å; Y370-F374 WeakPolarHBondContact O-CB 3.13Å; Y370-F374 PolarHBondContact O-N 3.37Å; Y370-F374 VanDerWaalsContact OH-CD2 3.28Å; Y370-F374 WeakPolarHBondContact OH-CD2 3.38Å; I371-F374 WeakPolarHBondContact O-CB 3.23Å; I371-F374 PolarHBondContact O-N 2.89Å; G372-F374 VanDerWaalsContact C-N 3.25Å; G372-F374 PolarHBondContact O-N 3.01Å; F374-L376 VanDerWaalsContact C-N 3.29Å; F374-L376 PolarHBondContact O-N 3.01Å; F374-T377 WeakPolarHBondContact O-CB 3.34Å; F374-T377 PolarHBondContact O-N 3.38Å; F374-T377 VanDerWaalsContact O-N 3.09Å; F374-E378 HydrophobicContact CD1-CG 4.11Å; F374-E378 HydrophobicContact CE1-CG 3.86Å; F374-E378 HydrophobicContact CZ-CG 4.33Å; F374-E378 PolarHBondContact O-N 3.33Å; F374-H433 AromaticContact CD2-CD2 3.47Å; F374-H433 VanDerWaalsContact CD2-CD2 3.47Å; F374-H433 WeakPolarHBondContact CD2-CD2 3.44Å; F374-H433 AromaticContact CD2-CE1 3.98Å; F374-H433 AromaticContact CD2-NE2 3.46Å; F374-H433 WeakPolarHBondContact CD2-NE2 3.41Å; F374-H433 AromaticContact CE2-CD2 3.69Å; F374-H433 AromaticContact CE2-NE2 3.87Å; F374-W527 HydrophobicContact CE2-CD2 4.06Å; F374-W527 AromaticContact CE2-CE3 3.62Å; F374-W527 HydrophobicContact CE2-CE3 3.62Å; F374-W527 HydrophobicContact CE2-CH2 4.01Å; F374-W527 HydrophobicContact CE2-CZ2 4.44Å; F374-W527 AromaticContact CE2-CZ3 3.6Å; F374-W527 HydrophobicContact CE2-CZ3 3.6Å; F374-W527 AromaticContact CZ-CD2 3.97Å; F374-W527 HydrophobicContact CZ-CD2 3.97Å; F374-W527 AromaticContact CZ-CE2 3.99Å; F374-W527 AromaticContact CZ-CE3 3.98Å; F374-W527 HydrophobicContact CZ-CE3 3.98Å; F374-W527 AromaticContact CZ-CH2 3.95Å; F374-W527 HydrophobicContact CZ-CH2 3.95Å; F374-W527 AromaticContact CZ-CZ2 3.99Å; F374-W527 HydrophobicContact CZ-CZ2 3.99Å; F374-W527 AromaticContact CZ-CZ3 3.98Å; F374-W527 HydrophobicContact CZ-CZ3 3.98Å; F374-T530 HydrophobicContact CB-CG2 4.34Å; F374-T530 HydrophobicContact CD1-CG2 3.58Å; F374-T530 HydrophobicContact CD2-CG2 4.13Å; F374-T530 HydrophobicContact CE1-CG2 3.77Å; F374-T530 HydrophobicContact CE2-CG2 4.31Å; F374-T530 HydrophobicContact CG-CG2 3.76Å; F374-T530 HydrophobicContact CZ-CG2 4.14Å; F374-L534 HydrophobicContact CD1-CD1 3.48Å; F374-L534 VanDerWaalsContact CD1-CD1 3.48Å; F374-L534 HydrophobicContact CE1-CD1 4.01Å; F374-I536 HydrophobicContact CE1-CD1 4.25Å
375	L	98.4	Very high	98	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59	-41.5	176.9	-178.8	65.3	0	0	0	111.8	L324 I327 I371 G372 T377 E378 L379 L534 I536	L324-L375 HydrophobicContact CB-CD2 3.96Å; L324-L375 HydrophobicContact CD2-CD2 3.72Å; L324-L375 HydrophobicContact CG-CD2 4.25Å; I327-L375 HydrophobicContact CB-CD2 4.38Å; I327-L375 HydrophobicContact CG2-CB 4.34Å; I327-L375 HydrophobicContact CG2-CD2 4.02Å; I327-L375 HydrophobicContact CG2-CG 3.99Å; I371-L375 PolarHBondContact O-N 3.19Å; G372-L375 PolarHBondContact O-N 2.85Å; L375-T377 VanDerWaalsContact C-N 3.32Å; L375-T377 PolarHBondContact O-N 3.05Å; L375-E378 PolarHBondContact O-N 2.8Å; L375-L379 HydrophobicContact CD1-CD1 3.79Å; L375-L379 HydrophobicContact CD1-CD2 4.49Å; L375-L379 HydrophobicContact CD1-CG 3.9Å; L375-L379 HydrophobicContact CD2-CD1 4.3Å; L375-L379 HydrophobicContact CG-CD1 3.75Å; L375-L379 HydrophobicContact CG-CG 4.24Å; L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 VanDerWaalsContact O-CG 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 3Å; L375-L534 HydrophobicContact CB-CD1 4.06Å; L375-L534 HydrophobicContact CB-CD2 4.23Å; L375-L534 HydrophobicContact CD2-CD2 4.42Å; L375-I536 HydrophobicContact CD1-CD1 4.13Å; L375-I536 HydrophobicContact CD1-CG2 4.26Å
376	L	98.7	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.5	-44.3	175.6	177.7	67	0	0	0	111.6	T243 L319 L321 I327 F330 V331 L344 G372 F374 L380	T243-L376 HydrophobicContact CG2-CD2 3.69Å; L319-L376 HydrophobicContact CD2-CD1 4.44Å; L319-L376 HydrophobicContact CD2-CD2 3.91Å; L321-L376 HydrophobicContact CD2-CD2 4.16Å; I327-L376 HydrophobicContact CG2-CB 4Å; I327-L376 HydrophobicContact CG2-CD1 4.33Å; F330-L376 HydrophobicContact CD1-CD1 3.67Å; F330-L376 HydrophobicContact CE1-CD1 3.7Å; V331-L376 HydrophobicContact CG2-CD1 3.84Å; L344-L376 HydrophobicContact CD1-CD2 4.3Å; G372-L376 VanDerWaalsContact O-CB 3.32Å; G372-L376 WeakPolarHBondContact O-CB 3.43Å; G372-L376 PolarHBondContact O-N 2.82Å; F374-L376 VanDerWaalsContact C-N 3.29Å; F374-L376 PolarHBondContact O-N 3.01Å; L376-L380 HydrophobicContact CD1-CD1 3.74Å; L376-L380 HydrophobicContact CD1-CG 4.38Å; L376-L380 HydrophobicContact CG-CD1 3.96Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 WeakPolarHBondContact O-CD1 3.01Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.46Å; L376-L380 PolarHBondContact O-N 3.4Å; L376-L380 VanDerWaalsContact O-N 3.17Å
377	T	98.6	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65	-53.6	179.2	-58	0	0	0	0	110.5	L344 N346 P373 F374 L375 L379 L380 L381 I392 L437	L344-T377 HydrophobicContact CD2-CG2 4.17Å; N346-T377 PolarHBondContact ND2-OG1 3.17Å; P373-T377 VanDerWaalsContact O-CB 3.3Å; P373-T377 WeakPolarHBondContact O-CB 3.05Å; P373-T377 PolarHBondContact O-N 3.41Å; P373-T377 PolarHBondContact O-OG1 2.99Å; F374-T377 WeakPolarHBondContact O-CB 3.34Å; F374-T377 PolarHBondContact O-N 3.38Å; F374-T377 VanDerWaalsContact O-N 3.09Å; L375-T377 VanDerWaalsContact C-N 3.32Å; L375-T377 PolarHBondContact O-N 3.05Å; T377-L379 VanDerWaalsContact C-N 3.33Å; T377-L379 PolarHBondContact O-N 3.3Å; T377-L380 PolarHBondContact O-N 2.93Å; T377-L381 HydrophobicContact CG2-CD2 4.36Å; T377-L381 WeakPolarHBondContact O-CG 3.33Å; T377-L381 PolarHBondContact O-N 3.5Å; T377-L381 VanDerWaalsContact O-N 3.07Å; T377-I392 HydrophobicContact CG2-CD1 3.82Å; T377-I392 HydrophobicContact CG2-CG2 3.97Å; T377-L437 HydrophobicContact CG2-CD2 3.62Å
378	E	97.4	Very high	97.9	Very high	10 Å²	10	16.6 Å²	16.6	5%	0.047	9%	0.092	C	C	.	.	H	α-helix	trans	-54.3	-46.3	179.2	-74.3	-61.6	99.8	0	0	112.2	Y19 F374 L375 L380 L381 W527 I536	Y19-E378 PolarHBondContact OH-O 3.22Å; F374-E378 HydrophobicContact CD1-CG 4.11Å; F374-E378 HydrophobicContact CE1-CG 3.86Å; F374-E378 HydrophobicContact CZ-CG 4.33Å; F374-E378 PolarHBondContact O-N 3.33Å; L375-E378 PolarHBondContact O-N 2.8Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.94Å; E378-L381 PolarHBondContact O-N 3.33Å; E378-L381 WeakPolarHBondContact OE1-CD1 3.47Å; E378-W527 WeakPolarHBondContact OE1-CH2 3.43Å; E378-I536 HydrophobicContact CB-CD1 4.49Å; E378-I536 HydrophobicContact CG-CD1 4.33Å
379	L	97.6	Very high	97.8	Very high	27 Å²	27	20.9 Å²	20.9	14%	0.141	12%	0.12	C	C	.	.	H	α-helix	trans	-71.5	-22.5	-179.6	-67.3	175.8	0	0	0	113.4	I327 R328 V331 K335 L375 T377	I327-L379 HydrophobicContact CG2-CD1 4.33Å; R328-L379 HydrophobicContact CG-CD1 3.8Å; V331-L379 HydrophobicContact CB-CB 4.37Å; V331-L379 HydrophobicContact CG1-CB 4Å; V331-L379 HydrophobicContact CG2-CB 4.04Å; K335-L379 WeakPolarHBondContact CE-O 3.45Å; K335-L379 PolarHBondContact NZ-O 3.23Å; L375-L379 HydrophobicContact CD1-CD1 3.79Å; L375-L379 HydrophobicContact CD1-CD2 4.49Å; L375-L379 HydrophobicContact CD1-CG 3.9Å; L375-L379 HydrophobicContact CD2-CD1 4.3Å; L375-L379 HydrophobicContact CG-CD1 3.75Å; L375-L379 HydrophobicContact CG-CG 4.24Å; L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 VanDerWaalsContact O-CG 3.25Å; L375-L379 WeakPolarHBondContact O-CG 3.49Å; L375-L379 PolarHBondContact O-N 3Å; T377-L379 VanDerWaalsContact C-N 3.33Å; T377-L379 PolarHBondContact O-N 3.3Å
380	L	98.2	Very high	97.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-90.7	-12	177.2	-74.3	173	0	0	0	114	I241 V331 I334 L344 L376 T377 E378 P382 L383 L384	I241-L380 HydrophobicContact CD1-CD1 3.7Å; I241-L380 HydrophobicContact CD1-CD2 4.2Å; V331-L380 HydrophobicContact CG1-CD2 4.06Å; V331-L380 HydrophobicContact CG2-CD2 4.03Å; V331-L380 HydrophobicContact CG2-CG 3.93Å; I334-L380 HydrophobicContact CB-CD2 4.47Å; I334-L380 HydrophobicContact CG2-CD2 4.12Å; L344-L380 HydrophobicContact CD1-CD1 3.98Å; L344-L380 HydrophobicContact CD2-CD1 4.03Å; L376-L380 HydrophobicContact CD1-CD1 3.74Å; L376-L380 HydrophobicContact CD1-CG 4.38Å; L376-L380 HydrophobicContact CG-CD1 3.96Å; L376-L380 WeakPolarHBondContact O-CB 3.3Å; L376-L380 WeakPolarHBondContact O-CD1 3.01Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.46Å; L376-L380 PolarHBondContact O-N 3.4Å; L376-L380 VanDerWaalsContact O-N 3.17Å; T377-L380 PolarHBondContact O-N 2.93Å; E378-L380 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 2.94Å; L380-P382 VanDerWaalsContact C-N 3.28Å; L380-P382 VanDerWaalsContact O-N 3.1Å; L380-L383 HydrophobicContact CD2-CD1 4.1Å; L380-L383 PolarHBondContact O-N 3.09Å; L380-L384 HydrophobicContact CB-CD1 4.02Å; L380-L384 PolarHBondContact O-N 2.96Å
381	L	97.6	Very high	97.8	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.037	12%	0.124	C	C	.	.	H	α-helix	trans	-47.2	-40.2	-178.5	-69.2	-177.1	0	0	0	114.6	Y19 T377 E378 L383 L384 K385 I392 L441	Y19-L381 HydrophobicContact CE2-CD1 4.49Å; T377-L381 HydrophobicContact CG2-CD2 4.36Å; T377-L381 WeakPolarHBondContact O-CG 3.33Å; T377-L381 PolarHBondContact O-N 3.5Å; T377-L381 VanDerWaalsContact O-N 3.07Å; E378-L381 PolarHBondContact O-N 3.33Å; E378-L381 WeakPolarHBondContact OE1-CD1 3.47Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.46Å; L381-L384 PolarHBondContact O-N 3.42Å; L381-K385 WeakPolarHBondContact O-CB 3.5Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.23Å; L381-I392 HydrophobicContact CD2-CD1 4Å; L381-L441 HydrophobicContact CD1-CD2 4.23Å; L381-L441 HydrophobicContact CD2-CD1 3.76Å; L381-L441 HydrophobicContact CD2-CD2 4.21Å
382	P	96.7	Very high	97.9	Very high	38 Å²	38	21.8 Å²	21.8	25%	0.247	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-38.1	175.7	-26.9	36.9	0	0	0	114.2	Y19 L380 N386	Y19-P382 HydrophobicContact CD1-CG 4.24Å; Y19-P382 HydrophobicContact CE1-CG 3.65Å; L380-P382 VanDerWaalsContact C-N 3.28Å; L380-P382 VanDerWaalsContact O-N 3.1Å; P382-N386 PolarHBondContact O-N 3.05Å; P382-N386 VanDerWaalsContact O-N 3.15Å; P382-N386 PolarHBondContact O-OD1 3.23Å
383	L	98.3	Very high	97.9	Very high	11 Å²	11	21.7 Å²	21.7	6%	0.058	12%	0.123	C	C	.	.	H	α-helix	trans	-77.3	-28.8	179	-59.2	-177.3	0	0	0	112.1	I334 K335 Y338 K340 I341 L380 L381	I334-L383 HydrophobicContact CG2-CD1 3.66Å; K335-L383 HydrophobicContact CG-CD1 3.91Å; K335-L383 HydrophobicContact CG-CD2 4.48Å; K335-L383 HydrophobicContact CG-CG 4.27Å; Y338-L383 WeakPolarHBondContact O-CD2 3.34Å; K340-L383 CarbonylContact C-O 3.45Å; K340-L383 WeakPolarHBondContact CA-O 3.24Å; I341-L383 HydrophobicContact CB-CB 4.26Å; I341-L383 HydrophobicContact CG1-CB 3.94Å; I341-L383 HydrophobicContact CG1-CD1 4.04Å; I341-L383 PolarHBondContact N-O 2.96Å; L380-L383 HydrophobicContact CD2-CD1 4.1Å; L380-L383 PolarHBondContact O-N 3.09Å; L381-L383 VanDerWaalsContact C-N 3.33Å; L381-L383 PolarHBondContact O-N 3.46Å
384	L	98.4	Very high	97.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.1	-38.8	173.5	-72.3	150.5	0	0	0	111.3	I341 L344 L380 L381 N386 A387 S390 I392 I446	I341-L384 HydrophobicContact CG2-CD2 4.35Å; I341-L384 WeakPolarHBondContact O-CD2 3.44Å; L344-L384 HydrophobicContact CB-CD1 4.29Å; L344-L384 HydrophobicContact CB-CD2 4.13Å; L344-L384 HydrophobicContact CD2-CD1 4.17Å; L380-L384 HydrophobicContact CB-CD1 4.02Å; L380-L384 PolarHBondContact O-N 2.96Å; L381-L384 PolarHBondContact O-N 3.42Å; L384-N386 VanDerWaalsContact C-N 3.29Å; L384-N386 PolarHBondContact O-N 2.91Å; L384-A387 PolarHBondContact O-N 2.88Å; L384-A387 VanDerWaalsContact O-N 3.12Å; L384-S390 WeakPolarHBondContact O-CB 3.24Å; L384-S390 PolarHBondContact O-OG 3.12Å; L384-I392 HydrophobicContact CD1-CD1 3.97Å; L384-I392 HydrophobicContact CD1-CG1 3.98Å; L384-I392 HydrophobicContact CD2-CG1 4.15Å; L384-I446 HydrophobicContact CB-CD1 3.88Å
385	K	97.4	Very high	97.8	Very high	51 Å²	51	22 Å²	22	22%	0.222	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-33.4	171.3	-74.7	-175.3	175.6	-177.7	0	111.9	P20 L381 A387 T388 I446	P20-K385 PolarHBondContact O-NZ 3.36Å; L381-K385 WeakPolarHBondContact O-CB 3.5Å; L381-K385 WeakPolarHBondContact O-CG 3.43Å; L381-K385 PolarHBondContact O-N 3.23Å; K385-A387 PolarHBondContact O-N 2.64Å; K385-T388 WeakPolarHBondContact O-CG2 3.28Å; K385-I446 HydrophobicContact CB-CD1 4.49Å; K385-I446 HydrophobicContact CG-CD1 3.69Å
386	N	97.6	Very high	97.7	Very high	108 Å²	108	22.1 Å²	22.1	58%	0.578	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-0.7	174.3	-68.9	-5.2	0	0	0	114.6	K339 K340 P382 L384	K339-N386 VanDerWaalsContact O-CB 3.25Å; K339-N386 WeakPolarHBondContact O-CB 3.41Å; K339-N386 PolarHBondContact O-ND2 3.07Å; K340-N386 HydrophobicContact CB-CB 4.14Å; K340-N386 WeakPolarHBondContact CB-O 3.47Å; P382-N386 PolarHBondContact O-N 3.05Å; P382-N386 VanDerWaalsContact O-N 3.15Å; P382-N386 PolarHBondContact O-OD1 3.23Å; L384-N386 VanDerWaalsContact C-N 3.29Å; L384-N386 PolarHBondContact O-N 2.91Å
387	A	97.2	Very high	97.3	Very high	7 Å²	7	22.9 Å²	22.9	6%	0.058	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	8	-172.5	0	0	0	0	0	114.3	K340 I341 D342 L384 K385 P389	K340-A387 HydrophobicContact CB-CB 3.92Å; K340-A387 HydrophobicContact CD-CB 4.36Å; I341-A387 VanDerWaalsContact C-CB 3.43Å; I341-A387 WeakPolarHBondContact O-CB 3.13Å; D342-A387 HydrophobicContact CB-CB 4.42Å; L384-A387 PolarHBondContact O-N 2.88Å; L384-A387 VanDerWaalsContact O-N 3.12Å; K385-A387 PolarHBondContact O-N 2.64Å; A387-P389 CarbonylContact O-C 3.55Å
388	T	95.4	Very high	96.7	Very high	71 Å²	71	28.4 Å²	28.4	44%	0.436	16%	0.157	S	C	.	.	S	Bend	trans	-58.8	134.1	-170.2	52.5	0	0	0	0	112.8	K385 C444 I446	K385-T388 WeakPolarHBondContact O-CG2 3.28Å; T388-C444 VanDerWaalsContact CG2-O 3.26Å; T388-C444 WeakPolarHBondContact CG2-O 3.32Å; T388-I446 HydrophobicContact CG2-CG1 4.35Å
389	P	96.2	Very high	96.2	Very high	102 Å²	102	30.2 Å²	30.2	66%	0.662	17%	0.166	S	C	*	.	S	Bend	cis	-73.5	124.5	-1.7	29.5	-34.4	0	0	0	112.4	A387	A387-P389 CarbonylContact O-C 3.55Å
390	S	98.2	Very high	95.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	164.3	-177.8	63.4	0	0	0	0	111	D342 L384 G445 V447	D342-S390 CarbonylContact O-C 3.4Å; D342-S390 VanDerWaalsContact O-CA 3.23Å; D342-S390 WeakPolarHBondContact O-CA 3.46Å; D342-S390 VanDerWaalsContact O-CB 3.3Å; D342-S390 WeakPolarHBondContact O-CB 3.36Å; L384-S390 WeakPolarHBondContact O-CB 3.24Å; L384-S390 PolarHBondContact O-OG 3.12Å; S390-G445 PolarHBondContact N-O 2.03Å; S390-V447 PolarHBondContact O-N 3.06Å
391	R	98.5	Very high	95.4	Very high	20 Å²	20	34 Å²	34	8%	0.075	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.2	-170.1	-51	-172.2	-172.8	-164.9	-2.8	114.1	D342 F343 L344 I393 V447 T493 A494 T496 E497	D342-R391 PolarHBondContact O-N 3.12Å; F343-R391 WeakPolarHBondContact CA-O 3.46Å; F343-R391 HydrophobicContact CD1-CB 3.98Å; F343-R391 HydrophobicContact CD1-CG 4.22Å; F343-R391 HydrophobicContact CE1-CB 4.41Å; F343-R391 HydrophobicContact CE1-CG 4.15Å; L344-R391 PolarHBondContact N-O 2.78Å; R391-I393 HydrophobicContact CB-CG1 4.38Å; R391-V447 VanDerWaalsContact CA-O 3.29Å; R391-V447 WeakPolarHBondContact CA-O 3.44Å; R391-T493 PolarHBondContact NH1-O 3.49Å; R391-A494 PolarHBondContact NH1-O 3.38Å; R391-T496 PolarHBondContact NH1-O 3.48Å; R391-T496 PolarHBondContact NH2-O 3.29Å; R391-E497 IonicContact NH2-OE2 3.14Å; R391-E497 PolarHBondContact NH2-OE2 3.05Å
392	I	98.8	Very high	94.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.4	172.7	-57.9	169.2	0	0	0	107.6	L344 T377 L381 L384 L437 L441 I446 V447 V448 V449	L344-I392 WeakPolarHBondContact O-CA 3.49Å; T377-I392 HydrophobicContact CG2-CD1 3.82Å; T377-I392 HydrophobicContact CG2-CG2 3.97Å; L381-I392 HydrophobicContact CD2-CD1 4Å; L384-I392 HydrophobicContact CD1-CD1 3.97Å; L384-I392 HydrophobicContact CD1-CG1 3.98Å; L384-I392 HydrophobicContact CD2-CG1 4.15Å; I392-L437 HydrophobicContact CD1-CD2 3.72Å; I392-L437 HydrophobicContact CG2-CD2 4.43Å; I392-L441 HydrophobicContact CD1-CD1 3.98Å; I392-I446 HydrophobicContact CD1-CG2 3.71Å; I392-I446 HydrophobicContact CG1-CG2 3.91Å; I392-V447 PolarHBondContact N-O 3.28Å; I392-V448 HydrophobicContact CB-CG1 4.12Å; I392-V448 HydrophobicContact CB-CG2 4.33Å; I392-V448 HydrophobicContact CD1-CG2 4.17Å; I392-V448 HydrophobicContact CG2-CG1 4.2Å; I392-V448 WeakPolarHBondContact O-CA 3.45Å; I392-V449 PolarHBondContact O-N 3.44Å
393	I	98.8	Very high	94.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.1	-170.4	-56.2	176.8	0	0	0	109.4	L344 I345 N346 R391 V449 L451 T490 A494	L344-I393 PolarHBondContact O-N 3.38Å; I345-I393 HydrophobicContact CD1-CD1 4.4Å; I345-I393 HydrophobicContact CG1-CB 4.4Å; I345-I393 HydrophobicContact CG1-CD1 4.3Å; I345-I393 HydrophobicContact CG2-CB 4.45Å; N346-I393 PolarHBondContact N-O 2.88Å; R391-I393 HydrophobicContact CB-CG1 4.38Å; I393-V449 HydrophobicContact CB-CG2 4.48Å; I393-V449 HydrophobicContact CG1-CG2 4.02Å; I393-V449 HydrophobicContact CG2-CG2 4.42Å; I393-L451 HydrophobicContact CG2-CD2 3.52Å; I393-T490 HydrophobicContact CG2-CG2 4.2Å; I393-A494 HydrophobicContact CD1-CB 4.02Å
394	N	98.7	Very high	94.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.9	-178.5	-66.3	-22.4	0	0	0	111.6	N346 S396 N430 H433 V449 S450 L451	N346-N394 PolarHBondContact ND2-OD1 3.5Å; N394-S396 PolarHBondContact O-N 3.47Å; N394-S396 VanDerWaalsContact O-N 3.1Å; N394-N430 HydrophobicContact CB-CB 4.24Å; N394-N430 PolarHBondContact ND2-O 2.91Å; N394-H433 PolarHBondContact ND2-ND1 3Å; N394-V449 PolarHBondContact N-O 2.89Å; N394-S450 CarbonylContact O-C 3.42Å; N394-S450 VanDerWaalsContact O-CA 3.26Å; N394-S450 WeakPolarHBondContact O-CA 3.49Å; N394-L451 PolarHBondContact O-N 2.77Å
395	V	97.8	Very high	93.8	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	97.9	179.9	-175.5	0	0	0	0	110.3	N346 N347 K427 L451 P453	N346-V395 PolarHBondContact O-N 3.45Å; N347-V395 HydrophobicContact CB-CG2 3.99Å; V395-K427 PolarHBondContact O-NZ 3.3Å; V395-L451 HydrophobicContact CG1-CD1 4.16Å; V395-L451 HydrophobicContact CG2-CD1 4.31Å; V395-P453 HydrophobicContact CG1-CG 4.01Å
396	S	95.8	Very high	93.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	22%	0.223	C	C	.	.			trans	-89.8	-156.6	176.1	-171.1	0	0	0	0	111.6	N394 K427 V431 L451 P453	N394-S396 PolarHBondContact O-N 3.47Å; N394-S396 VanDerWaalsContact O-N 3.1Å; S396-K427 PolarHBondContact OG-O 3.08Å; S396-V431 WeakPolarHBondContact OG-CG2 3.21Å; S396-L451 CarbonylContact C-O 3.54Å; S396-L451 VanDerWaalsContact C-O 3.29Å; S396-L451 WeakPolarHBondContact CA-O 3.24Å; S396-L451 WeakPolarHBondContact CB-O 3.44Å; S396-L451 PolarHBondContact N-O 2.75Å; S396-P453 WeakPolarHBondContact O-CD 3.4Å
397	S	89.6	Confident	93.3	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	22%	0.218	C	C	.	.			trans	-151.4	158.3	174.5	-169.2	0	0	0	0	111.2	L399 H400 H452	S397-L399 PolarHBondContact O-N 3.04Å; S397-H400 WeakPolarHBondContact O-CB 3.13Å; S397-H400 PolarHBondContact O-N 3.49Å; S397-H400 PolarHBondContact O-ND1 3.3Å; S397-H452 WeakPolarHBondContact CA-ND1 3.44Å
398	E	87.1	Confident	93.1	Very high	117 Å²	117	43.9 Å²	43.9	55%	0.547	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-53	-34.1	169.1	-173.3	166.4	-126.9	0	0	112.1	H400 E401 H452	E398-H400 PolarHBondContact O-N 3.35Å; E398-E401 PolarHBondContact O-N 2.97Å; E398-E401 VanDerWaalsContact O-N 3.08Å; E398-H452 PolarHBondContact N-ND1 3.05Å
399	L	86.7	Confident	92.8	Very high	47 Å²	47	44.9 Å²	44.9	25%	0.246	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.1	-12.8	173	-68.3	174.6	0	0	0	114.9	S397 E401 N402 M420 Y423 S424	S397-L399 PolarHBondContact O-N 3.04Å; L399-E401 PolarHBondContact O-N 3.02Å; L399-N402 PolarHBondContact O-N 3.09Å; L399-N402 VanDerWaalsContact O-N 3.11Å; L399-M420 HydrophobicContact CD1-CE 3.66Å; L399-M420 HydrophobicContact CD2-CE 4.41Å; L399-Y423 HydrophobicContact CD1-CD1 3.88Å; L399-Y423 HydrophobicContact CD1-CE1 4.02Å; L399-S424 VanDerWaalsContact O-CB 3.23Å; L399-S424 WeakPolarHBondContact O-CB 3.28Å; L399-S424 PolarHBondContact O-OG 3.17Å
400	H	88.6	Confident	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.5	-22.6	171.7	91.1	-74.6	0	0	0	113.2	S397 E398 N402 G403 K427 L428 V431 Y504 S514	S397-H400 WeakPolarHBondContact O-CB 3.13Å; S397-H400 PolarHBondContact O-N 3.49Å; S397-H400 PolarHBondContact O-ND1 3.3Å; E398-H400 PolarHBondContact O-N 3.35Å; H400-N402 VanDerWaalsContact C-N 3.31Å; H400-G403 PolarHBondContact O-N 3.35Å; H400-K427 HydrophobicContact CB-CB 4.24Å; H400-L428 HydrophobicContact CB-CB 4.38Å; H400-V431 HydrophobicContact CB-CG2 4.28Å; H400-Y504 AromaticContact CE1-CE1 3.43Å; H400-Y504 VanDerWaalsContact CE1-CE1 3.43Å; H400-Y504 WeakPolarHBondContact CE1-CE1 3.45Å; H400-Y504 AromaticContact CE1-CE2 3.92Å; H400-Y504 AromaticContact CE1-CZ 3.33Å; H400-Y504 PolarHBondContact CE1-OH 2.8Å; H400-Y504 AromaticContact ND1-CE2 3.99Å; H400-Y504 AromaticContact ND1-CZ 3.57Å; H400-Y504 PolarHBondContact ND1-OH 2.79Å; H400-S514 PolarHBondContact NE2-N 3.03Å
401	E	89.7	Confident	92.5	Very high	106 Å²	106	41.8 Å²	41.8	50%	0.495	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.9	-28.2	177	-61.1	-171.5	-162.3	0	0	112.6	E398 L399 G403	E398-E401 PolarHBondContact O-N 2.97Å; E398-E401 VanDerWaalsContact O-N 3.08Å; L399-E401 PolarHBondContact O-N 3.02Å; E401-G403 VanDerWaalsContact C-N 3.33Å
402	N	88	Confident	92.4	Very high	118 Å²	118	42.2 Å²	42.2	63%	0.631	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-86.1	-2.8	173.1	-64.1	-36.2	0	0	0	112.9	L399 H400	L399-N402 PolarHBondContact O-N 3.09Å; L399-N402 VanDerWaalsContact O-N 3.11Å; H400-N402 VanDerWaalsContact C-N 3.31Å
403	G	87.1	Confident	92.2	Very high	1 Å²	1	45 Å²	45	1%	0.01	24%	0.239	C	C	.	.			trans	-70	138.1	175.1	0	0	0	0	0	111.8	H400 E401 L428 Y516	H400-G403 PolarHBondContact O-N 3.35Å; E401-G403 VanDerWaalsContact C-N 3.33Å; G403-L428 WeakPolarHBondContact O-CD2 3.36Å; G403-Y516 WeakPolarHBondContact O-CD2 3.37Å; G403-Y516 WeakPolarHBondContact O-CE2 3.48Å
404	C	90.4	Very high	92.1	Very high	58 Å²	58	52.5 Å²	52.5	39%	0.392	27%	0.272	S	S	.	.			trans	-125.7	129	171.6	-70.1	0	0	0	0	109.1	L406 L425 Y516	C404-L406 PolarHBondContact O-N 2.94Å; C404-L425 WeakPolarHBondContact O-CD1 3.3Å; C404-Y516 HydrophobicContact CB-CE2 4.34Å
405	I	92.6	Very high	91.9	Very high	23 Å²	23	61.8 Å²	61.8	12%	0.118	31%	0.312	C	S	.	.			trans	-64.4	118.6	-178.6	-61.5	172.7	0	0	0	109.7	K407 L428 I432 D522 W525 F526	I405-K407 HydrophobicContact CG2-CG 4.2Å; I405-L428 HydrophobicContact CG1-CD2 4.08Å; I405-I432 HydrophobicContact CD1-CD1 3.74Å; I405-I432 HydrophobicContact CG1-CD1 3.97Å; I405-D522 HydrophobicContact CD1-CB 3.71Å; I405-W525 HydrophobicContact CG2-CE3 4Å; I405-W525 HydrophobicContact CG2-CZ3 3.55Å; I405-F526 HydrophobicContact CB-CD2 4.45Å; I405-F526 HydrophobicContact CD1-CD2 4.11Å; I405-F526 HydrophobicContact CG1-CD2 3.95Å; I405-F526 HydrophobicContact CG1-CE2 4.1Å; I405-F526 HydrophobicContact CG2-CD2 3.78Å; I405-F526 HydrophobicContact CG2-CE2 4.14Å
406	L	92.2	Very high	91.6	Very high	46 Å²	46	65.9 Å²	65.9	24%	0.241	33%	0.333	C	S	.	.			trans	-81	124	172.1	-70.2	178.4	0	0	0	110.5	C404 L410 Q411 Y412 L425 W525	C404-L406 PolarHBondContact O-N 2.94Å; L406-L410 WeakPolarHBondContact O-CA 3.04Å; L406-L410 PolarHBondContact O-N 3.1Å; L406-L410 VanDerWaalsContact O-N 3.13Å; L406-Q411 VanDerWaalsContact CD1-C 3.47Å; L406-Q411 WeakPolarHBondContact CD1-O 3.37Å; L406-Y412 HydrophobicContact CD1-CD1 3.86Å; L406-Y412 HydrophobicContact CD1-CD2 3.64Å; L406-Y412 HydrophobicContact CD1-CE1 3.85Å; L406-Y412 HydrophobicContact CD1-CE2 3.62Å; L406-Y412 HydrophobicContact CD1-CG 3.75Å; L406-Y412 HydrophobicContact CD2-CE1 4.25Å; L406-Y412 HydrophobicContact CG-CE2 4.35Å; L406-L425 HydrophobicContact CB-CD2 4.13Å; L406-L425 HydrophobicContact CD1-CD2 3.69Å; L406-L425 HydrophobicContact CG-CD2 3.64Å; L406-W525 WeakPolarHBondContact O-CH2 2.8Å
407	K	92.3	Very high	91.6	Very high	108 Å²	108	67.2 Å²	67.2	47%	0.47	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	139.5	169.4	-48.3	-158.4	-179.6	-175.1	0	108.7	I405 D522 W525	I405-K407 HydrophobicContact CG2-CG 4.2Å; K407-D522 WeakPolarHBondContact CE-OD1 3.21Å; K407-D522 IonicContact NZ-OD1 2.71Å; K407-D522 PolarHBondContact NZ-OD1 3.35Å; K407-W525 HydrophobicContact CB-CH2 3.97Å; K407-W525 HydrophobicContact CB-CZ2 4.04Å; K407-W525 HydrophobicContact CD-CD2 3.9Å; K407-W525 HydrophobicContact CD-CE3 3.91Å; K407-W525 HydrophobicContact CD-CH2 4.11Å; K407-W525 HydrophobicContact CD-CZ2 4.05Å; K407-W525 HydrophobicContact CD-CZ3 4.01Å; K407-W525 HydrophobicContact CG-CD2 4.46Å; K407-W525 HydrophobicContact CG-CE3 4.14Å; K407-W525 HydrophobicContact CG-CH2 3.61Å; K407-W525 HydrophobicContact CG-CZ2 3.93Å; K407-W525 HydrophobicContact CG-CZ3 3.7Å
408	P	92.2	Very high	91.8	Very high	77 Å²	77	70.6 Å²	70.6	50%	0.5	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85	-15.2	2.9	33.5	-33	0	0	0	114.6	L410 W525 K529	P408-L410 PolarHBondContact O-N 3.06Å; P408-W525 WeakPolarHBondContact O-CZ2 3.42Å; P408-K529 WeakPolarHBondContact O-CE 3.49Å
409	D	89.2	Confident	92	Very high	91 Å²	91	66.2 Å²	66.2	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-7.7	-155.4	-55.1	-55.5	0	0	0	117.1	Q411	D409-Q411 PolarHBondContact O-N 2.82Å
410	L	93.9	Very high	92.2	Very high	1 Å²	1	67 Å²	67	1%	0.005	34%	0.337	C	S	.	.	S	Bend	trans	59.4	-24.2	-166.7	-66.5	178	0	0	0	116.8	M366 L406 P408 L425 W525 F526 K529 T530 L533	M366-L410 VanDerWaalsContact CE-O 3.23Å; M366-L410 WeakPolarHBondContact CE-O 3.45Å; L406-L410 WeakPolarHBondContact O-CA 3.04Å; L406-L410 PolarHBondContact O-N 3.1Å; L406-L410 VanDerWaalsContact O-N 3.13Å; P408-L410 PolarHBondContact O-N 3.06Å; L410-L425 WeakPolarHBondContact O-CD2 3.39Å; L410-W525 HydrophobicContact CD2-CE3 4.36Å; L410-W525 HydrophobicContact CD2-CH2 3.74Å; L410-W525 HydrophobicContact CD2-CZ3 3.39Å; L410-W525 HydrophobicContact CG-CH2 4.15Å; L410-W525 HydrophobicContact CG-CZ3 4.27Å; L410-F526 HydrophobicContact CD1-CD1 4.34Å; L410-F526 HydrophobicContact CD1-CE1 4.36Å; L410-F526 HydrophobicContact CD2-CB 4.4Å; L410-F526 HydrophobicContact CD2-CD1 3.83Å; L410-F526 HydrophobicContact CD2-CD2 3.51Å; L410-F526 HydrophobicContact CD2-CE1 3.88Å; L410-F526 HydrophobicContact CD2-CE2 3.58Å; L410-F526 HydrophobicContact CD2-CG 3.63Å; L410-F526 HydrophobicContact CD2-CZ 3.75Å; L410-K529 HydrophobicContact CD1-CB 3.8Å; L410-K529 HydrophobicContact CD1-CG 3.69Å; L410-K529 HydrophobicContact CG-CB 4.14Å; L410-K529 HydrophobicContact CG-CG 3.74Å; L410-T530 WeakPolarHBondContact CD1-OG1 3.28Å; L410-L533 HydrophobicContact CB-CD1 4.39Å; L410-L533 HydrophobicContact CD1-CD1 4.03Å
411	Q	95.4	Very high	92.5	Very high	38 Å²	38	70.6 Å²	70.6	18%	0.178	35%	0.352	C	S	.	.	S	Bend	trans	-124.7	158.9	-173.3	67	-172.1	-7.4	0	0	113.1	E363 M366 L406 D409	E363-Q411 HydrophobicContact CB-CB 4.1Å; E363-Q411 HydrophobicContact CB-CG 4.44Å; M366-Q411 HydrophobicContact CB-CB 4.21Å; M366-Q411 HydrophobicContact CG-CB 4.13Å; L406-Q411 VanDerWaalsContact CD1-C 3.47Å; L406-Q411 WeakPolarHBondContact CD1-O 3.37Å; D409-Q411 PolarHBondContact O-N 2.82Å
412	Y	95.2	Very high	92.7	Very high	29 Å²	29	65.6 Å²	65.6	11%	0.114	33%	0.329	C	S	.	.			trans	-75.9	137.7	174.9	-78.1	-83.9	0	0	0	111	Y355 L406 N416 K421 A422 L425	Y355-Y412 WeakPolarHBondContact CE2-O 3.45Å; L406-Y412 HydrophobicContact CD1-CD1 3.86Å; L406-Y412 HydrophobicContact CD1-CD2 3.64Å; L406-Y412 HydrophobicContact CD1-CE1 3.85Å; L406-Y412 HydrophobicContact CD1-CE2 3.62Å; L406-Y412 HydrophobicContact CD1-CG 3.75Å; L406-Y412 HydrophobicContact CD2-CE1 4.25Å; L406-Y412 HydrophobicContact CG-CE2 4.35Å; Y412-N416 HydrophobicContact CD1-CB 4.43Å; Y412-N416 WeakPolarHBondContact CD1-O 3.18Å; Y412-K421 HydrophobicContact CE1-CB 4.46Å; Y412-K421 HydrophobicContact CE2-CB 3.9Å; Y412-K421 WeakPolarHBondContact OH-CB 3.49Å; Y412-A422 HydrophobicContact CD2-CB 3.78Å; Y412-A422 HydrophobicContact CE2-CB 4.38Å; Y412-L425 HydrophobicContact CD2-CD2 4.37Å; Y412-L425 HydrophobicContact CE2-CB 4.46Å; Y412-L425 HydrophobicContact CE2-CD2 3.91Å
413	S	95.2	Very high	93	Very high	57 Å²	57	61.1 Å²	61.1	40%	0.399	30%	0.304	S	S	.	.			trans	-82.8	157.8	168.8	72.7	0	0	0	0	111.3	K415 N416 Y417	S413-K415 PolarHBondContact O-N 2.88Å; S413-N416 CarbonylContact O-C 3.51Å; S413-N416 PolarHBondContact O-N 3.27Å; S413-Y417 PolarHBondContact O-N 3.43Å; S413-Y417 VanDerWaalsContact O-N 3.11Å
414	K	96	Very high	93.4	Very high	159 Å²	159	61.3 Å²	61.3	69%	0.691	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-31.4	179.8	-173.2	171.7	-179.8	176.8	0	114.7	Y355	Y355-K414 HydrophobicContact CD1-CB 3.6Å; Y355-K414 HydrophobicContact CD1-CD 3.93Å; Y355-K414 HydrophobicContact CD1-CG 3.63Å; Y355-K414 HydrophobicContact CD2-CB 4.24Å; Y355-K414 HydrophobicContact CE1-CB 3.71Å; Y355-K414 HydrophobicContact CE1-CD 4.34Å; Y355-K414 HydrophobicContact CE1-CG 4.18Å; Y355-K414 HydrophobicContact CE2-CB 4.31Å; Y355-K414 HydrophobicContact CG-CB 3.89Å; Y355-K414 HydrophobicContact CG-CG 3.95Å
415	K	94.2	Very high	93.7	Very high	194 Å²	194	58.6 Å²	58.6	84%	0.843	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-31.9	179.2	-174.8	-176.5	174.6	-175.1	0	112.7	S413	S413-K415 PolarHBondContact O-N 2.88Å
416	N	93.4	Very high	93.9	Very high	94 Å²	94	57.5 Å²	57.5	50%	0.503	28%	0.281	S	S	.	.	S	Bend	trans	-112.3	13	-170.6	-58.5	-5.1	0	0	0	111.8	Y412 S413 E418	Y412-N416 HydrophobicContact CD1-CB 4.43Å; Y412-N416 WeakPolarHBondContact CD1-O 3.18Å; S413-N416 CarbonylContact O-C 3.51Å; S413-N416 PolarHBondContact O-N 3.27Å; N416-E418 PolarHBondContact O-N 3.4Å
417	Y	94.9	Very high	94.1	Very high	32 Å²	32	55.6 Å²	55.6	13%	0.125	27%	0.271	C	S	.	.			trans	-72	117.9	-172.1	-176.7	-99.6	0	0	0	112.2	L352 Y355 E363 T365 S413 A422	L352-Y417 PolarHBondContact O-OH 3.14Å; Y355-Y417 AromaticContact CD2-CD2 3.71Å; Y355-Y417 HydrophobicContact CD2-CD2 3.71Å; Y355-Y417 HydrophobicContact CD2-CE2 4.44Å; Y355-Y417 AromaticContact CD2-CG 3.9Å; Y355-Y417 HydrophobicContact CD2-CG 3.9Å; Y355-Y417 HydrophobicContact CG-CG 4.4Å; E363-Y417 HydrophobicContact CG-CD2 4.07Å; E363-Y417 HydrophobicContact CG-CE2 3.89Å; E363-Y417 VanDerWaalsContact OE1-CE2 3.28Å; E363-Y417 WeakPolarHBondContact OE1-CE2 3.23Å; T365-Y417 PolarHBondContact OG1-OH 2.78Å; T365-Y417 VanDerWaalsContact OG1-OH 3.14Å; S413-Y417 PolarHBondContact O-N 3.43Å; S413-Y417 VanDerWaalsContact O-N 3.11Å; Y417-A422 HydrophobicContact CD2-CB 4.13Å; Y417-A422 HydrophobicContact CE2-CB 3.48Å; Y417-A422 VanDerWaalsContact CE2-CB 3.48Å
418	E	92.7	Very high	94.3	Very high	87 Å²	87	50.5 Å²	50.5	41%	0.407	25%	0.248	S	C	.	.			trans	-124.5	110.7	172.6	-70.5	178.3	-110	0	0	109.1	N416 M420 K421 A422	N416-E418 PolarHBondContact O-N 3.4Å; E418-M420 VanDerWaalsContact C-N 3.31Å; E418-M420 PolarHBondContact O-N 3.43Å; E418-M420 VanDerWaalsContact O-N 3.12Å; E418-K421 HydrophobicContact CB-CB 4.13Å; E418-K421 HydrophobicContact CB-CD 4.06Å; E418-K421 HydrophobicContact CB-CG 4.14Å; E418-K421 HydrophobicContact CG-CD 4.45Å; E418-K421 PolarHBondContact O-N 3.41Å; E418-K421 IonicContact OE1-NZ 3.28Å; E418-K421 PolarHBondContact OE1-NZ 3.19Å; E418-K421 WeakPolarHBondContact OE2-CD 3.1Å; E418-K421 WeakPolarHBondContact OE2-CE 3.45Å; E418-K421 IonicContact OE2-NZ 2.83Å; E418-K421 PolarHBondContact OE2-NZ 2.89Å; E418-A422 PolarHBondContact O-N 2.7Å
419	T	92.4	Very high	94.6	Very high	24 Å²	24	46.8 Å²	46.8	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-42.9	-50.3	-173.1	-58.4	0	0	0	0	114.4	I351 L352 Q353 Y423 L464	I351-T419 HydrophobicContact CD1-CG2 3.64Å; I351-T419 HydrophobicContact CG1-CG2 3.49Å; I351-T419 VanDerWaalsContact CG1-CG2 3.49Å; L352-T419 WeakPolarHBondContact O-CG2 3.46Å; L352-T419 PolarHBondContact O-OG1 3.24Å; L352-T419 VanDerWaalsContact O-OG1 3.07Å; Q353-T419 PolarHBondContact O-OG1 2.96Å; T419-Y423 WeakPolarHBondContact O-CB 3.34Å; T419-Y423 PolarHBondContact O-N 3.34Å; T419-L464 HydrophobicContact CG2-CD2 3.7Å
420	M	90.9	Very high	95	Very high	64 Å²	64	42.6 Å²	42.6	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-70.9	-33.2	-177.9	-66.3	-54.3	-63.9	0	0	112.8	I98 I351 L399 E418 S424	I98-M420 HydrophobicContact CD1-CE 4.31Å; I351-M420 HydrophobicContact CD1-SD 3.96Å; L399-M420 HydrophobicContact CD1-CE 3.66Å; L399-M420 HydrophobicContact CD2-CE 4.41Å; E418-M420 VanDerWaalsContact C-N 3.31Å; E418-M420 PolarHBondContact O-N 3.43Å; E418-M420 VanDerWaalsContact O-N 3.12Å; M420-S424 VanDerWaalsContact O-CB 3.23Å; M420-S424 WeakPolarHBondContact O-CB 3.24Å; M420-S424 PolarHBondContact O-N 2.78Å; M420-S424 PolarHBondContact O-OG 3.13Å
421	K	94.1	Very high	95.2	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	20%	0.202	S	C	.	.	H	α-helix	trans	-74.1	-42.4	176.8	-64.5	-177.6	177.3	152.5	0	111.4	Y412 E418 Y423 S424 L425	Y412-K421 HydrophobicContact CE1-CB 4.46Å; Y412-K421 HydrophobicContact CE2-CB 3.9Å; Y412-K421 WeakPolarHBondContact OH-CB 3.49Å; E418-K421 HydrophobicContact CB-CB 4.13Å; E418-K421 HydrophobicContact CB-CD 4.06Å; E418-K421 HydrophobicContact CB-CG 4.14Å; E418-K421 HydrophobicContact CG-CD 4.45Å; E418-K421 PolarHBondContact O-N 3.41Å; E418-K421 IonicContact OE1-NZ 3.28Å; E418-K421 PolarHBondContact OE1-NZ 3.19Å; E418-K421 WeakPolarHBondContact OE2-CD 3.1Å; E418-K421 WeakPolarHBondContact OE2-CE 3.45Å; E418-K421 IonicContact OE2-NZ 2.83Å; E418-K421 PolarHBondContact OE2-NZ 2.89Å; K421-Y423 PolarHBondContact O-N 3.19Å; K421-S424 PolarHBondContact O-N 3.17Å; K421-L425 VanDerWaalsContact O-CB 3.29Å; K421-L425 WeakPolarHBondContact O-CB 3.42Å; K421-L425 PolarHBondContact O-N 3.49Å
422	A	95.1	Very high	95.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-45.8	173.8	0	0	0	0	0	111.6	Y412 Y417 E418 L425 S426	Y412-A422 HydrophobicContact CD2-CB 3.78Å; Y412-A422 HydrophobicContact CE2-CB 4.38Å; Y417-A422 HydrophobicContact CD2-CB 4.13Å; Y417-A422 HydrophobicContact CE2-CB 3.48Å; Y417-A422 VanDerWaalsContact CE2-CB 3.48Å; E418-A422 PolarHBondContact O-N 2.7Å; A422-L425 PolarHBondContact O-N 3.29Å; A422-S426 WeakPolarHBondContact O-CB 3.34Å; A422-S426 PolarHBondContact O-N 2.89Å
423	Y	94.4	Very high	95.5	Very high	24 Å²	24	39.5 Å²	39.5	9%	0.094	19%	0.189	C	C	.	.	H	α-helix	trans	-63.3	-49	175.2	-171.6	-106.9	0	0	0	112.6	L350 I351 T365 L399 T419 K421 L425 S426 K427 L460	L350-Y423 WeakPolarHBondContact O-CD2 3.43Å; L350-Y423 WeakPolarHBondContact O-CE2 3.26Å; I351-Y423 HydrophobicContact CB-CD2 3.9Å; I351-Y423 HydrophobicContact CB-CE2 4.35Å; I351-Y423 HydrophobicContact CB-CG 4.39Å; I351-Y423 HydrophobicContact CD1-CD1 4.13Å; I351-Y423 HydrophobicContact CD1-CD2 4.04Å; I351-Y423 HydrophobicContact CD1-CG 3.63Å; I351-Y423 HydrophobicContact CG1-CD2 4Å; I351-Y423 HydrophobicContact CG1-CG 4.05Å; T365-Y423 HydrophobicContact CG2-CD2 4.04Å; L399-Y423 HydrophobicContact CD1-CD1 3.88Å; L399-Y423 HydrophobicContact CD1-CE1 4.02Å; T419-Y423 WeakPolarHBondContact O-CB 3.34Å; T419-Y423 PolarHBondContact O-N 3.34Å; K421-Y423 PolarHBondContact O-N 3.19Å; Y423-L425 VanDerWaalsContact C-N 3.3Å; Y423-L425 PolarHBondContact O-N 3.24Å; Y423-S426 PolarHBondContact O-N 3.39Å; Y423-S426 VanDerWaalsContact O-N 3.11Å; Y423-S426 PolarHBondContact O-OG 3.43Å; Y423-K427 HydrophobicContact CD1-CG 4.31Å; Y423-K427 HydrophobicContact CE1-CG 3.91Å; Y423-K427 HydrophobicContact CE2-CD 4.42Å; Y423-K427 HydrophobicContact CE2-CG 4.19Å; Y423-K427 PolarHBondContact O-N 2.94Å; Y423-K427 WeakPolarHBondContact OH-CE 3.39Å; Y423-L460 HydrophobicContact CE2-CD2 3.92Å
424	S	94.6	Very high	95.6	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-57.5	-41.9	178.5	-60.1	0	0	0	0	112.2	L399 M420 K421 K427 L428	L399-S424 VanDerWaalsContact O-CB 3.23Å; L399-S424 WeakPolarHBondContact O-CB 3.28Å; L399-S424 PolarHBondContact O-OG 3.17Å; M420-S424 VanDerWaalsContact O-CB 3.23Å; M420-S424 WeakPolarHBondContact O-CB 3.24Å; M420-S424 PolarHBondContact O-N 2.78Å; M420-S424 PolarHBondContact O-OG 3.13Å; K421-S424 PolarHBondContact O-N 3.17Å; S424-K427 PolarHBondContact O-N 3.11Å; S424-L428 WeakPolarHBondContact O-CB 3.45Å; S424-L428 PolarHBondContact O-N 3.18Å
425	L	96.3	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67	-42.7	174.1	177.4	52.2	0	0	0	112.4	M366 C404 L406 L410 Y412 K421 A422 Y423 K427 L428 A429 F526	M366-L425 HydrophobicContact CE-CD2 4.12Å; M366-L425 HydrophobicContact CE-CG 3.7Å; C404-L425 WeakPolarHBondContact O-CD1 3.3Å; L406-L425 HydrophobicContact CB-CD2 4.13Å; L406-L425 HydrophobicContact CD1-CD2 3.69Å; L406-L425 HydrophobicContact CG-CD2 3.64Å; L410-L425 WeakPolarHBondContact O-CD2 3.39Å; Y412-L425 HydrophobicContact CD2-CD2 4.37Å; Y412-L425 HydrophobicContact CE2-CB 4.46Å; Y412-L425 HydrophobicContact CE2-CD2 3.91Å; K421-L425 VanDerWaalsContact O-CB 3.29Å; K421-L425 WeakPolarHBondContact O-CB 3.42Å; K421-L425 PolarHBondContact O-N 3.49Å; A422-L425 PolarHBondContact O-N 3.29Å; Y423-L425 VanDerWaalsContact C-N 3.3Å; Y423-L425 PolarHBondContact O-N 3.24Å; L425-K427 PolarHBondContact O-N 3.21Å; L425-L428 HydrophobicContact CD1-CD2 4.42Å; L425-L428 WeakPolarHBondContact O-CB 3.48Å; L425-L428 PolarHBondContact O-N 3Å; L425-A429 PolarHBondContact O-N 2.93Å; L425-F526 HydrophobicContact CD1-CE2 4.16Å; L425-F526 HydrophobicContact CD1-CZ 4.47Å
426	S	97.1	Very high	95.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-33.5	175.2	80	0	0	0	0	112.5	N369 A422 Y423 A429 N430	N369-S426 PolarHBondContact ND2-OG 2.91Å; A422-S426 WeakPolarHBondContact O-CB 3.34Å; A422-S426 PolarHBondContact O-N 2.89Å; Y423-S426 PolarHBondContact O-N 3.39Å; Y423-S426 VanDerWaalsContact O-N 3.11Å; Y423-S426 PolarHBondContact O-OG 3.43Å; S426-A429 WeakPolarHBondContact O-CB 3.22Å; S426-A429 PolarHBondContact O-N 2.94Å; S426-N430 PolarHBondContact O-N 3.19Å; S426-N430 PolarHBondContact O-OD1 3.05Å
427	K	96.7	Very high	96.1	Very high	7 Å²	7	16.6 Å²	16.6	3%	0.03	8%	0.078	C	C	.	.	H	α-helix	trans	-80.2	-30.8	176.1	-63.8	-42.3	-164.6	171.3	0	112.8	V395 S396 H400 Y423 S424 L425 A429 N430 V431	V395-K427 PolarHBondContact O-NZ 3.3Å; S396-K427 PolarHBondContact OG-O 3.08Å; H400-K427 HydrophobicContact CB-CB 4.24Å; Y423-K427 HydrophobicContact CD1-CG 4.31Å; Y423-K427 HydrophobicContact CE1-CG 3.91Å; Y423-K427 HydrophobicContact CE2-CD 4.42Å; Y423-K427 HydrophobicContact CE2-CG 4.19Å; Y423-K427 PolarHBondContact O-N 2.94Å; Y423-K427 WeakPolarHBondContact OH-CE 3.39Å; S424-K427 PolarHBondContact O-N 3.11Å; L425-K427 PolarHBondContact O-N 3.21Å; K427-A429 VanDerWaalsContact C-N 3.34Å; K427-N430 WeakPolarHBondContact CD-OD1 3.34Å; K427-N430 PolarHBondContact NZ-OD1 3.3Å; K427-N430 WeakPolarHBondContact O-CB 3.35Å; K427-N430 PolarHBondContact O-N 2.99Å; K427-V431 PolarHBondContact O-N 2.93Å
428	L	96.9	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.4	-41.7	165.2	177	58.7	0	0	0	111.8	H400 G403 I405 S424 L425 N430 V431 I432 S514 Y516 A517	H400-L428 HydrophobicContact CB-CB 4.38Å; G403-L428 WeakPolarHBondContact O-CD2 3.36Å; I405-L428 HydrophobicContact CG1-CD2 4.08Å; S424-L428 WeakPolarHBondContact O-CB 3.45Å; S424-L428 PolarHBondContact O-N 3.18Å; L425-L428 HydrophobicContact CD1-CD2 4.42Å; L425-L428 WeakPolarHBondContact O-CB 3.48Å; L425-L428 PolarHBondContact O-N 3Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 2.83Å; L428-V431 PolarHBondContact O-N 2.98Å; L428-I432 HydrophobicContact CD1-CD1 4.06Å; L428-I432 HydrophobicContact CD1-CG1 4.12Å; L428-I432 HydrophobicContact CD2-CD1 4.29Å; L428-I432 HydrophobicContact CG-CD1 3.76Å; L428-I432 HydrophobicContact CG-CG1 4.28Å; L428-I432 PolarHBondContact O-N 3.22Å; L428-S514 VanDerWaalsContact CD1-OG 3.23Å; L428-S514 WeakPolarHBondContact CD1-OG 3.34Å; L428-Y516 HydrophobicContact CD2-CD2 4.4Å; L428-A517 HydrophobicContact CD1-CB 4.06Å
429	A	97.9	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.1	-40.5	176.2	0	0	0	0	0	112	M366 Y370 L425 S426 K427 V431 I432 H433 F526	M366-A429 HydrophobicContact SD-CB 4.41Å; Y370-A429 HydrophobicContact CD1-CB 3.69Å; Y370-A429 HydrophobicContact CD2-CB 3.69Å; Y370-A429 HydrophobicContact CE1-CB 4.17Å; Y370-A429 HydrophobicContact CE2-CB 4.2Å; Y370-A429 HydrophobicContact CG-CB 3.4Å; Y370-A429 VanDerWaalsContact CG-CB 3.4Å; L425-A429 PolarHBondContact O-N 2.93Å; S426-A429 WeakPolarHBondContact O-CB 3.22Å; S426-A429 PolarHBondContact O-N 2.94Å; K427-A429 VanDerWaalsContact C-N 3.34Å; A429-V431 VanDerWaalsContact C-N 3.27Å; A429-V431 PolarHBondContact O-N 3.45Å; A429-I432 PolarHBondContact O-N 3.13Å; A429-H433 WeakPolarHBondContact O-CB 3.39Å; A429-H433 PolarHBondContact O-N 3.48Å; A429-F526 HydrophobicContact CB-CE1 3.69Å; A429-F526 HydrophobicContact CB-CZ 3.5Å
430	N	98.2	Very high	96.5	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-59.4	-33.4	174.6	-63.7	142.5	0	0	0	113.8	N369 N394 S426 K427 L428 A434	N369-N430 PolarHBondContact O-ND2 3.31Å; N394-N430 HydrophobicContact CB-CB 4.24Å; N394-N430 PolarHBondContact ND2-O 2.91Å; S426-N430 PolarHBondContact O-N 3.19Å; S426-N430 PolarHBondContact O-OD1 3.05Å; K427-N430 WeakPolarHBondContact CD-OD1 3.34Å; K427-N430 PolarHBondContact NZ-OD1 3.3Å; K427-N430 WeakPolarHBondContact O-CB 3.35Å; K427-N430 PolarHBondContact O-N 2.99Å; L428-N430 VanDerWaalsContact C-N 3.29Å; L428-N430 PolarHBondContact O-N 2.83Å; N430-A434 PolarHBondContact O-N 3.42Å
431	V	98.1	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-82.8	-44.7	179.6	-177.9	0	0	0	0	111.3	S396 H400 K427 L428 A429 H433 A434 I435 Y504 P513 A517	S396-V431 WeakPolarHBondContact OG-CG2 3.21Å; H400-V431 HydrophobicContact CB-CG2 4.28Å; K427-V431 PolarHBondContact O-N 2.93Å; L428-V431 PolarHBondContact O-N 2.98Å; A429-V431 VanDerWaalsContact C-N 3.27Å; A429-V431 PolarHBondContact O-N 3.45Å; V431-H433 VanDerWaalsContact C-N 3.26Å; V431-H433 PolarHBondContact O-N 3.23Å; V431-A434 PolarHBondContact O-N 3.34Å; V431-A434 VanDerWaalsContact O-N 3.17Å; V431-I435 HydrophobicContact CG1-CD1 4.14Å; V431-I435 WeakPolarHBondContact O-CG1 3.25Å; V431-I435 PolarHBondContact O-N 3.06Å; V431-I435 VanDerWaalsContact O-N 3.11Å; V431-Y504 HydrophobicContact CG2-CD2 3.95Å; V431-Y504 HydrophobicContact CG2-CE2 4.21Å; V431-P513 HydrophobicContact CG1-CB 3.54Å; V431-P513 HydrophobicContact CG1-CG 4.49Å; V431-A517 HydrophobicContact CG1-CB 3.95Å
432	I	97.8	Very high	96.7	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-52.7	-48.1	171.4	-75.8	172.6	0	0	0	110.3	I405 L428 A429 I435 E436 A517 R523 F526	I405-I432 HydrophobicContact CD1-CD1 3.74Å; I405-I432 HydrophobicContact CG1-CD1 3.97Å; L428-I432 HydrophobicContact CD1-CD1 4.06Å; L428-I432 HydrophobicContact CD1-CG1 4.12Å; L428-I432 HydrophobicContact CD2-CD1 4.29Å; L428-I432 HydrophobicContact CG-CD1 3.76Å; L428-I432 HydrophobicContact CG-CG1 4.28Å; L428-I432 PolarHBondContact O-N 3.22Å; A429-I432 PolarHBondContact O-N 3.13Å; I432-I435 PolarHBondContact O-N 3.2Å; I432-E436 WeakPolarHBondContact O-CB 3.37Å; I432-E436 PolarHBondContact O-N 3.25Å; I432-A517 HydrophobicContact CG1-CB 4.08Å; I432-R523 HydrophobicContact CG1-CG 4.48Å; I432-R523 HydrophobicContact CG2-CB 4.34Å; I432-R523 HydrophobicContact CG2-CG 4.1Å; I432-F526 HydrophobicContact CD1-CD2 3.61Å; I432-F526 HydrophobicContact CD1-CE2 3.83Å; I432-F526 HydrophobicContact CD1-CG 4.14Å; I432-F526 HydrophobicContact CG2-CB 3.91Å; I432-F526 HydrophobicContact CG2-CD1 4.04Å; I432-F526 HydrophobicContact CG2-CD2 4.44Å; I432-F526 HydrophobicContact CG2-CG 3.89Å
433	H	98	Very high	96.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-44.1	177.7	-179.2	-145.4	0	0	0	112.6	Y370 F374 N394 A429 V431 I435 L437 W527	Y370-H433 HydrophobicContact CD2-CB 4.48Å; Y370-H433 HydrophobicContact CE2-CB 3.81Å; F374-H433 AromaticContact CD2-CD2 3.47Å; F374-H433 VanDerWaalsContact CD2-CD2 3.47Å; F374-H433 WeakPolarHBondContact CD2-CD2 3.44Å; F374-H433 AromaticContact CD2-CE1 3.98Å; F374-H433 AromaticContact CD2-NE2 3.46Å; F374-H433 WeakPolarHBondContact CD2-NE2 3.41Å; F374-H433 AromaticContact CE2-CD2 3.69Å; F374-H433 AromaticContact CE2-NE2 3.87Å; N394-H433 PolarHBondContact ND2-ND1 3Å; A429-H433 WeakPolarHBondContact O-CB 3.39Å; A429-H433 PolarHBondContact O-N 3.48Å; V431-H433 VanDerWaalsContact C-N 3.26Å; V431-H433 PolarHBondContact O-N 3.23Å; H433-I435 VanDerWaalsContact C-N 3.35Å; H433-I435 PolarHBondContact O-N 3.03Å; H433-L437 WeakPolarHBondContact O-CB 3.06Å; H433-L437 PolarHBondContact O-N 3.06Å; H433-W527 AromaticContact CD2-CZ3 3.86Å
434	A	98.3	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-40.4	-179.5	0	0	0	0	0	112.5	N430 V431 S438 V448	N430-A434 PolarHBondContact O-N 3.42Å; V431-A434 PolarHBondContact O-N 3.34Å; V431-A434 VanDerWaalsContact O-N 3.17Å; A434-S438 VanDerWaalsContact O-CB 3.26Å; A434-S438 WeakPolarHBondContact O-CB 3.48Å; A434-S438 PolarHBondContact O-N 3.3Å; A434-V448 HydrophobicContact CB-CG1 4.11Å; A434-V448 WeakPolarHBondContact O-CG1 3.43Å
435	I	98	Very high	96.7	Very high	19 Å²	19	25.4 Å²	25.4	10%	0.097	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-52.7	177.1	-57.7	161.6	0	0	0	110.3	V431 I432 H433 L437 S438 E439 G502 P513 A517 R523	V431-I435 HydrophobicContact CG1-CD1 4.14Å; V431-I435 WeakPolarHBondContact O-CG1 3.25Å; V431-I435 PolarHBondContact O-N 3.06Å; V431-I435 VanDerWaalsContact O-N 3.11Å; I432-I435 PolarHBondContact O-N 3.2Å; H433-I435 VanDerWaalsContact C-N 3.35Å; H433-I435 PolarHBondContact O-N 3.03Å; I435-L437 PolarHBondContact O-N 3.04Å; I435-S438 WeakPolarHBondContact O-CB 3.32Å; I435-S438 PolarHBondContact O-N 2.85Å; I435-S438 VanDerWaalsContact O-N 3.11Å; I435-E439 PolarHBondContact O-N 2.79Å; I435-E439 VanDerWaalsContact O-N 3.12Å; I435-G502 VanDerWaalsContact CG1-O 3.3Å; I435-G502 WeakPolarHBondContact CG1-O 3.47Å; I435-P513 HydrophobicContact CD1-CG 4.08Å; I435-A517 HydrophobicContact CD1-CB 3.85Å; I435-R523 VanDerWaalsContact CG2-CZ 3.47Å
436	E	97.6	Very high	96.8	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-40.5	-174.6	-173.2	67.1	-169.5	0	0	112.7	I432 S438 E439 R440 R523 K524 W527	I432-E436 WeakPolarHBondContact O-CB 3.37Å; I432-E436 PolarHBondContact O-N 3.25Å; E436-S438 VanDerWaalsContact C-N 3.27Å; E436-S438 PolarHBondContact O-N 2.94Å; E436-E439 PolarHBondContact O-N 3.11Å; E436-R440 WeakPolarHBondContact O-CG 3.37Å; E436-R440 PolarHBondContact O-N 3.08Å; E436-R440 VanDerWaalsContact O-N 3.12Å; E436-R440 IonicContact OE1-CZ 2.68Å; E436-R440 IonicContact OE1-NE 2.67Å; E436-R440 PolarHBondContact OE1-NE 3.25Å; E436-R440 IonicContact OE1-NH2 2.87Å; E436-R440 PolarHBondContact OE1-NH2 3.3Å; E436-R523 HydrophobicContact CB-CB 4.38Å; E436-R523 WeakPolarHBondContact OE2-CB 3.4Å; E436-R523 IonicContact OE2-NE 2.65Å; E436-R523 PolarHBondContact OE2-NE 3.17Å; E436-K524 VanDerWaalsContact OE1-CG 3.3Å; E436-K524 WeakPolarHBondContact OE1-CG 3.38Å; E436-W527 HydrophobicContact CB-CE3 4.1Å; E436-W527 HydrophobicContact CG-CB 3.92Å; E436-W527 HydrophobicContact CG-CD2 3.96Å; E436-W527 HydrophobicContact CG-CE3 3.62Å; E436-W527 HydrophobicContact CG-CG 4.08Å
437	L	97.4	Very high	96.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-33.6	173.4	-172.9	68.9	0	0	0	111.1	T377 I392 H433 I435 E439 R440 L441 V448 W527	T377-L437 HydrophobicContact CG2-CD2 3.62Å; I392-L437 HydrophobicContact CD1-CD2 3.72Å; I392-L437 HydrophobicContact CG2-CD2 4.43Å; H433-L437 WeakPolarHBondContact O-CB 3.06Å; H433-L437 PolarHBondContact O-N 3.06Å; I435-L437 PolarHBondContact O-N 3.04Å; L437-E439 VanDerWaalsContact C-N 3.34Å; L437-R440 PolarHBondContact O-N 2.64Å; L437-L441 HydrophobicContact CD1-CD1 3.85Å; L437-L441 HydrophobicContact CD1-CG 3.93Å; L437-L441 HydrophobicContact CD2-CD1 4.03Å; L437-L441 HydrophobicContact CG-CD1 3.65Å; L437-L441 HydrophobicContact CG-CG 4.02Å; L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.49Å; L437-L441 PolarHBondContact O-N 3.38Å; L437-V448 HydrophobicContact CB-CG1 4.27Å; L437-V448 HydrophobicContact CB-CG2 4.36Å; L437-V448 HydrophobicContact CD2-CG1 3.97Å; L437-V448 HydrophobicContact CD2-CG2 3.91Å; L437-V448 HydrophobicContact CG-CG1 4.46Å; L437-V448 HydrophobicContact CG-CG2 3.97Å; L437-W527 HydrophobicContact CB-CZ3 3.97Å; L437-W527 HydrophobicContact CD1-CH2 3.59Å; L437-W527 HydrophobicContact CD1-CZ3 3.88Å
438	S	97.4	Very high	97	Very high	14 Å²	14	27.2 Å²	27.2	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-67.9	-32.4	176.8	-166.8	0	0	0	0	113.4	A434 I435 E436 K442 P501 G502	A434-S438 VanDerWaalsContact O-CB 3.26Å; A434-S438 WeakPolarHBondContact O-CB 3.48Å; A434-S438 PolarHBondContact O-N 3.3Å; I435-S438 WeakPolarHBondContact O-CB 3.32Å; I435-S438 PolarHBondContact O-N 2.85Å; I435-S438 VanDerWaalsContact O-N 3.11Å; E436-S438 VanDerWaalsContact C-N 3.27Å; E436-S438 PolarHBondContact O-N 2.94Å; S438-K442 PolarHBondContact O-N 2.97Å; S438-P501 VanDerWaalsContact OG-C 3.28Å; S438-P501 WeakPolarHBondContact OG-CA 3.41Å; S438-P501 WeakPolarHBondContact OG-CB 3.35Å; S438-G502 VanDerWaalsContact CB-N 3.32Å; S438-G502 PolarHBondContact OG-N 3.49Å
439	E	96.5	Very high	97	Very high	117 Å²	117	27.2 Å²	27.2	55%	0.547	14%	0.144	S	C	.	.	H	α-helix	trans	-70.7	-40.1	172.6	-61.7	-71.2	179.2	0	0	110.5	I435 E436 L437 K442	I435-E439 PolarHBondContact O-N 2.79Å; I435-E439 VanDerWaalsContact O-N 3.12Å; E436-E439 PolarHBondContact O-N 3.11Å; L437-E439 VanDerWaalsContact C-N 3.34Å; E439-K442 VanDerWaalsContact O-CB 3.25Å; E439-K442 WeakPolarHBondContact O-CB 3.37Å; E439-K442 PolarHBondContact O-N 3.28Å
440	R	96	Very high	97.1	Very high	52 Å²	52	27.2 Å²	27.2	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-75.3	-25.8	-179.8	-67.4	178.3	-171.2	-115.5	0.7	114.3	E436 L437 W527 D539 N540	E436-R440 WeakPolarHBondContact O-CG 3.37Å; E436-R440 PolarHBondContact O-N 3.08Å; E436-R440 VanDerWaalsContact O-N 3.12Å; E436-R440 IonicContact OE1-CZ 2.68Å; E436-R440 IonicContact OE1-NE 2.67Å; E436-R440 PolarHBondContact OE1-NE 3.25Å; E436-R440 IonicContact OE1-NH2 2.87Å; E436-R440 PolarHBondContact OE1-NH2 3.3Å; L437-R440 PolarHBondContact O-N 2.64Å; R440-W527 VanDerWaalsContact CZ-NE1 3.3Å; R440-W527 VanDerWaalsContact NH1-NE1 3.19Å; R440-D539 PolarHBondContact NH1-O 3.3Å; R440-N540 PolarHBondContact NH1-OD1 2.88Å
441	L	95.9	Very high	97.1	Very high	8 Å²	8	27 Å²	27	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	12.6	173.8	-62.2	-177.8	0	0	0	113.2	L381 I392 L437 D443 C444 I446 V448	L381-L441 HydrophobicContact CD1-CD2 4.23Å; L381-L441 HydrophobicContact CD2-CD1 3.76Å; L381-L441 HydrophobicContact CD2-CD2 4.21Å; I392-L441 HydrophobicContact CD1-CD1 3.98Å; L437-L441 HydrophobicContact CD1-CD1 3.85Å; L437-L441 HydrophobicContact CD1-CG 3.93Å; L437-L441 HydrophobicContact CD2-CD1 4.03Å; L437-L441 HydrophobicContact CG-CD1 3.65Å; L437-L441 HydrophobicContact CG-CG 4.02Å; L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.25Å; L437-L441 WeakPolarHBondContact O-CG 3.49Å; L437-L441 PolarHBondContact O-N 3.38Å; L441-D443 PolarHBondContact O-N 2.97Å; L441-C444 VanDerWaalsContact O-CB 3.29Å; L441-C444 WeakPolarHBondContact O-CB 3.29Å; L441-C444 PolarHBondContact O-N 3.45Å; L441-C444 VanDerWaalsContact O-N 3.11Å; L441-I446 HydrophobicContact CD1-CB 4.07Å; L441-I446 HydrophobicContact CD1-CD1 3.99Å; L441-I446 HydrophobicContact CD1-CG2 3.98Å; L441-I446 HydrophobicContact CD2-CD1 4.44Å; L441-V448 HydrophobicContact CD1-CG2 3.95Å
442	K	93.6	Very high	96.8	Very high	133 Å²	133	27.6 Å²	27.6	58%	0.578	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	139.3	173.8	-169.8	-168.8	166.2	-170.1	0	110.2	S438 E439 C444	S438-K442 PolarHBondContact O-N 2.97Å; E439-K442 VanDerWaalsContact O-CB 3.25Å; E439-K442 WeakPolarHBondContact O-CB 3.37Å; E439-K442 PolarHBondContact O-N 3.28Å; K442-C444 PolarHBondContact O-N 3.06Å
443	D	93.3	Very high	96.4	Very high	117 Å²	117	28.1 Å²	28.1	63%	0.626	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	-0	-179	-47.2	-39.7	0	0	0	115.1	L441 G445	L441-D443 PolarHBondContact O-N 2.97Å; D443-G445 VanDerWaalsContact C-N 3.34Å; D443-G445 PolarHBondContact O-N 3.39Å
444	C	94.9	Very high	95.6	Very high	16 Å²	16	29.1 Å²	29.1	11%	0.108	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	7.5	174.1	-57	0	0	0	0	114.3	C22 T388 L441 K442 I446	C22-C444 HydrophobicContact CB-CB 4.11Å; C22-C444 WeakPolarHBondContact CB-SG 3.41Å; C22-C444 WeakPolarHBondContact SG-CB 3.5Å; C22-C444 CovalentContact SG-SG 2.04Å; C22-C444 PolarHBondContact SG-SG 2.99Å; T388-C444 VanDerWaalsContact CG2-O 3.26Å; T388-C444 WeakPolarHBondContact CG2-O 3.32Å; L441-C444 VanDerWaalsContact O-CB 3.29Å; L441-C444 WeakPolarHBondContact O-CB 3.29Å; L441-C444 PolarHBondContact O-N 3.45Å; L441-C444 VanDerWaalsContact O-N 3.11Å; K442-C444 PolarHBondContact O-N 3.06Å; C444-I446 VanDerWaalsContact C-N 3.26Å; C444-I446 PolarHBondContact O-N 3.19Å
445	G	96	Very high	94.1	Very high	41 Å²	41	31.3 Å²	31.3	42%	0.423	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	9.5	176.6	0	0	0	0	0	116.8	S390 D443	S390-G445 PolarHBondContact N-O 2.03Å; D443-G445 VanDerWaalsContact C-N 3.34Å; D443-G445 PolarHBondContact O-N 3.39Å
446	I	97.8	Very high	92.3	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.3	178.2	-54.3	175.5	0	0	0	109.1	L384 K385 T388 I392 L441 C444 V448	L384-I446 HydrophobicContact CB-CD1 3.88Å; K385-I446 HydrophobicContact CB-CD1 4.49Å; K385-I446 HydrophobicContact CG-CD1 3.69Å; T388-I446 HydrophobicContact CG2-CG1 4.35Å; I392-I446 HydrophobicContact CD1-CG2 3.71Å; I392-I446 HydrophobicContact CG1-CG2 3.91Å; L441-I446 HydrophobicContact CD1-CB 4.07Å; L441-I446 HydrophobicContact CD1-CD1 3.99Å; L441-I446 HydrophobicContact CD1-CG2 3.98Å; L441-I446 HydrophobicContact CD2-CD1 4.44Å; C444-I446 VanDerWaalsContact C-N 3.26Å; C444-I446 PolarHBondContact O-N 3.19Å; I446-V448 HydrophobicContact CG2-CG2 4.44Å
447	V	98.2	Very high	90.1	Very high	34 Å²	34	33.8 Å²	33.8	21%	0.206	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.9	175.7	-172.5	0	0	0	0	110.3	S390 R391 I392 V449 L499 P501	S390-V447 PolarHBondContact O-N 3.06Å; R391-V447 VanDerWaalsContact CA-O 3.29Å; R391-V447 WeakPolarHBondContact CA-O 3.44Å; I392-V447 PolarHBondContact N-O 3.28Å; V447-V449 HydrophobicContact CG1-CG1 4.35Å; V447-L499 HydrophobicContact CB-CD1 4.26Å; V447-L499 HydrophobicContact CG1-CB 3.77Å; V447-L499 HydrophobicContact CG1-CD1 3.62Å; V447-L499 HydrophobicContact CG1-CG 4.39Å; V447-P501 HydrophobicContact CG1-CG 4.43Å
448	V	98.6	Very high	88	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.3	178.3	-166.7	0	0	0	0	109.9	I392 A434 L437 L441 I446 G502	I392-V448 HydrophobicContact CB-CG1 4.12Å; I392-V448 HydrophobicContact CB-CG2 4.33Å; I392-V448 HydrophobicContact CD1-CG2 4.17Å; I392-V448 HydrophobicContact CG2-CG1 4.2Å; I392-V448 WeakPolarHBondContact O-CA 3.45Å; A434-V448 HydrophobicContact CB-CG1 4.11Å; A434-V448 WeakPolarHBondContact O-CG1 3.43Å; L437-V448 HydrophobicContact CB-CG1 4.27Å; L437-V448 HydrophobicContact CB-CG2 4.36Å; L437-V448 HydrophobicContact CD2-CG1 3.97Å; L437-V448 HydrophobicContact CD2-CG2 3.91Å; L437-V448 HydrophobicContact CG-CG1 4.46Å; L437-V448 HydrophobicContact CG-CG2 3.97Å; L441-V448 HydrophobicContact CD1-CG2 3.95Å; I446-V448 HydrophobicContact CG2-CG2 4.44Å; V448-G502 WeakPolarHBondContact O-CA 3.23Å; V448-G502 PolarHBondContact O-N 3.31Å
449	V	98.6	Very high	86	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.1	176.6	-67.5	0	0	0	0	111.9	I392 I393 N394 V447 T493 L499 G503 Y505	I392-V449 PolarHBondContact O-N 3.44Å; I393-V449 HydrophobicContact CB-CG2 4.48Å; I393-V449 HydrophobicContact CG1-CG2 4.02Å; I393-V449 HydrophobicContact CG2-CG2 4.42Å; N394-V449 PolarHBondContact N-O 2.89Å; V447-V449 HydrophobicContact CG1-CG1 4.35Å; V449-T493 HydrophobicContact CG2-CG2 4.14Å; V449-L499 HydrophobicContact CG1-CD1 4.2Å; V449-L499 HydrophobicContact CG1-CD2 4.22Å; V449-G503 WeakPolarHBondContact CA-O 3.21Å; V449-Y505 HydrophobicContact CB-CD2 4.33Å; V449-Y505 HydrophobicContact CB-CE2 4.39Å; V449-Y505 HydrophobicContact CG1-CD2 4.31Å; V449-Y505 HydrophobicContact CG1-CE2 3.88Å
450	S	98.6	Very high	84.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	159	168.7	57.8	0	0	0	0	110.6	N394 G503 Y504 Y505	N394-S450 CarbonylContact O-C 3.42Å; N394-S450 VanDerWaalsContact O-CA 3.26Å; N394-S450 WeakPolarHBondContact O-CA 3.49Å; S450-G503 PolarHBondContact N-O 3.13Å; S450-Y504 CarbonylContact O-C 3.53Å; S450-Y504 VanDerWaalsContact O-CA 3.32Å; S450-Y504 WeakPolarHBondContact O-CA 3.29Å; S450-Y505 PolarHBondContact O-N 3.11Å
451	L	97.9	Very high	82.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.8	179.7	65.7	90.7	0	0	0	115	I393 N394 V395 S396 P453 T489 T490 T493 Y505	I393-L451 HydrophobicContact CG2-CD2 3.52Å; N394-L451 PolarHBondContact O-N 2.77Å; V395-L451 HydrophobicContact CG1-CD1 4.16Å; V395-L451 HydrophobicContact CG2-CD1 4.31Å; S396-L451 CarbonylContact C-O 3.54Å; S396-L451 VanDerWaalsContact C-O 3.29Å; S396-L451 WeakPolarHBondContact CA-O 3.24Å; S396-L451 WeakPolarHBondContact CB-O 3.44Å; S396-L451 PolarHBondContact N-O 2.75Å; L451-P453 HydrophobicContact CD1-CB 4.34Å; L451-T489 HydrophobicContact CB-CG2 3.96Å; L451-T489 HydrophobicContact CD1-CG2 4.35Å; L451-T489 HydrophobicContact CD2-CG2 4.47Å; L451-T490 HydrophobicContact CD2-CG2 4.29Å; L451-T493 HydrophobicContact CD2-CG2 4.11Å; L451-T493 VanDerWaalsContact CD2-OG1 3.28Å; L451-T493 WeakPolarHBondContact CD2-OG1 3.3Å; L451-Y505 CarbonylContact C-O 3.34Å; L451-Y505 WeakPolarHBondContact CA-O 3.33Å; L451-Y505 VanDerWaalsContact CB-O 3.26Å; L451-Y505 WeakPolarHBondContact CB-O 3.37Å
452	H	93.1	Very high	80.4	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.056	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.6	161.1	172.5	55.6	0	0	0	110.1	S397 E398 G454 Y504 Y505	S397-H452 WeakPolarHBondContact CA-ND1 3.44Å; E398-H452 PolarHBondContact N-ND1 3.05Å; H452-G454 VanDerWaalsContact C-N 3.29Å; H452-G454 PolarHBondContact CD2-N 2.99Å; H452-G454 PolarHBondContact CE1-N 3.36Å; H452-G454 WeakPolarHBondContact NE2-CA 3.35Å; H452-G454 PolarHBondContact NE2-N 2.81Å; H452-G454 PolarHBondContact O-N 2.96Å; H452-Y504 HydrophobicContact CB-CE2 4.38Å; H452-Y504 WeakPolarHBondContact CB-OH 3.29Å; H452-Y505 PolarHBondContact N-O 2.88Å
453	P	89	Confident	78.6	Confident	13 Å²	13	42.5 Å²	42.5	8%	0.084	24%	0.24	C	C	.	.			trans	-78.6	-5.1	-179.9	31.6	-36.8	0	0	0	114.2	I249 V395 S396 L451 G486	I249-P453 HydrophobicContact CD1-CB 3.65Å; I249-P453 HydrophobicContact CD1-CG 3.59Å; I249-P453 HydrophobicContact CG1-CB 4.32Å; I249-P453 HydrophobicContact CG2-CB 4.4Å; V395-P453 HydrophobicContact CG1-CG 4.01Å; S396-P453 WeakPolarHBondContact O-CD 3.4Å; L451-P453 HydrophobicContact CD1-CB 4.34Å; P453-G486 VanDerWaalsContact CB-O 3.23Å; P453-G486 WeakPolarHBondContact CB-O 3.45Å; P453-G486 VanDerWaalsContact O-CA 3.28Å; P453-G486 WeakPolarHBondContact O-CA 3.37Å
454	G	80.7	Confident	76.8	Confident	21 Å²	21	38.8 Å²	38.8	22%	0.216	22%	0.221	C	C	.	.			trans	95.3	155	-168	0	0	0	0	0	112.7	H452 T456	H452-G454 VanDerWaalsContact C-N 3.29Å; H452-G454 PolarHBondContact CD2-N 2.99Å; H452-G454 PolarHBondContact CE1-N 3.36Å; H452-G454 WeakPolarHBondContact NE2-CA 3.35Å; H452-G454 PolarHBondContact NE2-N 2.81Å; H452-G454 PolarHBondContact O-N 2.96Å; G454-T456 PolarHBondContact O-N 3.26Å; G454-T456 PolarHBondContact O-OG1 2.79Å
455	A	68.1	Low	74.8	Confident	47 Å²	47	43.6 Å²	43.6	39%	0.388	25%	0.249	S	C	.	.	S	Bend	trans	-64.7	99.4	173.6	0	0	0	0	0	110.4	T481	A455-T481 PolarHBondContact O-N 3.28Å
456	T	59.7	Low	72.6	Confident	16 Å²	16	46 Å²	46	10%	0.098	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-105.6	144.8	-170	31.5	0	0	0	0	112.5	I249 G454 T458 T481	I249-T456 HydrophobicContact CD1-CG2 4.1Å; I249-T456 HydrophobicContact CG1-CG2 4.14Å; G454-T456 PolarHBondContact O-N 3.26Å; G454-T456 PolarHBondContact O-OG1 2.79Å; T456-T458 PolarHBondContact O-N 3Å; T456-T458 PolarHBondContact O-OG1 3.39Å; T456-T458 WeakPolarHBondContact OG1-CG2 3.35Å; T456-T481 WeakPolarHBondContact CA-O 3.41Å; T456-T481 HydrophobicContact CG2-CG2 3.37Å
457	S	51.7	Low	70.4	Confident	58 Å²	58	51 Å²	51	41%	0.406	28%	0.282	S	S	.	.			trans	-65.1	94.9	163.6	-74.2	0	0	0	0	109.4	L480 T481	S457-L480 WeakPolarHBondContact OG-CB 3.28Å; S457-L480 WeakPolarHBondContact OG-CD1 3.39Å; S457-T481 PolarHBondContact N-O 2.97Å
458	T	51.7	Low	68	Low	45 Å²	45	54 Å²	54	28%	0.276	30%	0.302	S	S	.	.			trans	-121.2	142	-175.2	43	0	0	0	0	112.8	I249 T456 L460 M461	I249-T458 HydrophobicContact CD1-CG2 4.49Å; T456-T458 PolarHBondContact O-N 3Å; T456-T458 PolarHBondContact O-OG1 3.39Å; T456-T458 WeakPolarHBondContact OG1-CG2 3.35Å; T458-L460 PolarHBondContact O-N 3.11Å; T458-M461 PolarHBondContact O-N 3.01Å
459	E	56.8	Low	65.8	Low	97 Å²	97	57.3 Å²	57.3	45%	0.453	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-51.7	-18.7	165.5	-70.9	-70.6	102.2	0	0	113.2	M461 R462	E459-M461 PolarHBondContact O-N 3.35Å; E459-R462 WeakPolarHBondContact O-CB 3.49Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 WeakPolarHBondContact OE2-CD 3.43Å; E459-R462 IonicContact OE2-CZ 2.62Å; E459-R462 IonicContact OE2-NE 3.84Å; E459-R462 IonicContact OE2-NH1 2.85Å; E459-R462 PolarHBondContact OE2-NH1 3.04Å
460	L	57.3	Low	63.5	Low	45 Å²	45	63.4 Å²	63.4	24%	0.236	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-53.1	-40.8	172.8	-153.8	112.3	0	0	0	111.7	I351 Y423 T458 R462	I351-L460 HydrophobicContact CB-CD2 4Å; I351-L460 HydrophobicContact CB-CG 4.34Å; I351-L460 HydrophobicContact CG2-CD2 3.67Å; I351-L460 HydrophobicContact CG2-CG 3.87Å; I351-L460 WeakPolarHBondContact CG2-O 3.3Å; Y423-L460 HydrophobicContact CE2-CD2 3.92Å; T458-L460 PolarHBondContact O-N 3.11Å; L460-R462 PolarHBondContact O-N 2.89Å
461	M	56.8	Low	61.4	Low	97 Å²	97	69.5 Å²	69.5	48%	0.478	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-70.6	-17.2	179.3	-160.2	94.5	83.3	0	0	113.1	T458 E459 N463 L464	T458-M461 PolarHBondContact O-N 3.01Å; E459-M461 PolarHBondContact O-N 3.35Å; M461-N463 PolarHBondContact O-N 2.85Å; M461-N463 VanDerWaalsContact O-N 3.07Å; M461-L464 HydrophobicContact CG-CD1 4.33Å; M461-L464 WeakPolarHBondContact O-CB 3.37Å; M461-L464 PolarHBondContact O-N 2.69Å; M461-L464 HydrophobicContact SD-CD1 3.88Å
462	R	56.9	Low	59.3	Low	159 Å²	159	73.1 Å²	73.1	60%	0.6	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-62.1	-21.9	-172.5	-160.1	-179.3	76.9	175.4	16.2	113.7	E459 L460	E459-R462 WeakPolarHBondContact O-CB 3.49Å; E459-R462 PolarHBondContact O-N 2.87Å; E459-R462 WeakPolarHBondContact OE2-CD 3.43Å; E459-R462 IonicContact OE2-CZ 2.62Å; E459-R462 IonicContact OE2-NE 3.84Å; E459-R462 IonicContact OE2-NH1 2.85Å; E459-R462 PolarHBondContact OE2-NH1 3.04Å; L460-R462 PolarHBondContact O-N 2.89Å
463	N	54.9	Low	57.3	Low	64 Å²	64	78 Å²	78	34%	0.342	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-88.6	-0.2	177.7	-60.9	-25.2	0	0	0	113.8	I351 Q353 M461	I351-N463 PolarHBondContact O-ND2 2.86Å; Q353-N463 VanDerWaalsContact CB-O 3.32Å; Q353-N463 WeakPolarHBondContact CB-O 3.38Å; Q353-N463 PolarHBondContact OE1-O 3.21Å; M461-N463 PolarHBondContact O-N 2.85Å; M461-N463 VanDerWaalsContact O-N 3.07Å
464	L	56.2	Low	55.4	Low	40 Å²	40	82.1 Å²	82.1	21%	0.209	45%	0.454	C	S	.	.			trans	-101.7	67.7	179.4	-58.1	176.5	0	0	0	109.8	I351 Q353 T419 M461 S466	I351-L464 HydrophobicContact CG2-CD1 4.34Å; I351-L464 HydrophobicContact CG2-CD2 4.49Å; I351-L464 HydrophobicContact CG2-CG 4.37Å; Q353-L464 HydrophobicContact CB-CD2 4.42Å; T419-L464 HydrophobicContact CG2-CD2 3.7Å; M461-L464 HydrophobicContact CG-CD1 4.33Å; M461-L464 WeakPolarHBondContact O-CB 3.37Å; M461-L464 PolarHBondContact O-N 2.69Å; M461-L464 HydrophobicContact SD-CD1 3.88Å; L464-S466 PolarHBondContact O-N 3.49Å
465	T	51.7	Low	53.9	Low	116 Å²	116	88.3 Å²	88.3	71%	0.712	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	0.2	-166	57.8	0	0	0	0	114.7	Q353	Q353-T465 VanDerWaalsContact OE1-N 3.11Å; Q353-T465 PolarHBondContact OE1-OG1 3.23Å
466	S	50.8	Low	52.9	Low	92 Å²	92	87.5 Å²	87.5	64%	0.643	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.1	-176.7	-53.9	0	0	0	0	115.3	Q353 L464	Q353-S466 PolarHBondContact NE2-OG 3.46Å; L464-S466 PolarHBondContact O-N 3.49Å
467	F	50.6	Low	52.3	Low	116 Å²	116	96.9 Å²	96.9	51%	0.509	50%	0.498	S	S	.	.	S	Bend	trans	-85.7	128.5	176.8	-157.4	-94.9	0	0	0	111.4	M469	F467-M469 HydrophobicContact CD1-CG 4.17Å; F467-M469 HydrophobicContact CD1-SD 3.95Å; F467-M469 PolarHBondContact O-N 2.99Å
468	P	48.8	Very low	52.1	Low	97 Å²	97	98.3 Å²	98.3	63%	0.63	51%	0.507	S	S	*	.			trans	-77.2	64.1	-175	32.1	-36.3	0	0	0	113	N470 V471	P468-N470 PolarHBondContact O-N 2.89Å; P468-V471 PolarHBondContact O-N 3.47Å
469	M	52.3	Low	52.1	Low	69 Å²	69	98.4 Å²	98.4	34%	0.34	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-10.7	-176.3	-73.8	-71.6	-73.2	0	0	115.8	F467 K473 I476	F467-M469 HydrophobicContact CD1-CG 4.17Å; F467-M469 HydrophobicContact CD1-SD 3.95Å; F467-M469 PolarHBondContact O-N 2.99Å; M469-K473 WeakPolarHBondContact O-CG 3.45Å; M469-I476 HydrophobicContact CE-CD1 4.03Å; M469-I476 HydrophobicContact CE-CG2 4.27Å; M469-I476 HydrophobicContact SD-CD1 3.66Å
470	N	49.9	Very low	52.4	Low	127 Å²	127	95.6 Å²	95.6	68%	0.679	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-24.3	-176.1	-74.3	-23.7	0	0	0	114.3	P468 K473	P468-N470 PolarHBondContact O-N 2.89Å; N470-K473 PolarHBondContact OD1-NZ 3.01Å
471	V	54.5	Low	53	Low	129 Å²	129	93.8 Å²	93.8	78%	0.782	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-34.4	-178.6	-175.5	0	0	0	0	112.1	P468	P468-V471 PolarHBondContact O-N 3.47Å
472	L	54	Low	54.4	Low	76 Å²	76	92.3 Å²	92.3	40%	0.398	48%	0.483	S	S	.	.	S	Bend	trans	-100.3	5.8	-170.7	-141	72.8	0	0	0	114.4	F475 I476	L472-F475 PolarHBondContact O-N 3.22Å; L472-I476 HydrophobicContact CB-CD1 3.78Å; L472-I476 HydrophobicContact CB-CG1 4.06Å; L472-I476 HydrophobicContact CD2-CD1 4.05Å; L472-I476 HydrophobicContact CD2-CG1 3.96Å; L472-I476 HydrophobicContact CG-CD1 4.31Å; L472-I476 HydrophobicContact CG-CG1 4.14Å; L472-I476 WeakPolarHBondContact O-CB 3.47Å; L472-I476 WeakPolarHBondContact O-CG1 3.12Å; L472-I476 PolarHBondContact O-N 2.86Å
473	K	50.9	Low	56	Low	115 Å²	115	86.4 Å²	86.4	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-48.5	-45.7	-172.1	-114.6	161.8	-172.6	169.9	0	116.6	M469 N470 R477	M469-K473 WeakPolarHBondContact O-CG 3.45Å; N470-K473 PolarHBondContact OD1-NZ 3.01Å; K473-R477 PolarHBondContact O-N 3.29Å
474	P	48.8	Very low	57.9	Low	99 Å²	99	84.7 Å²	84.7	64%	0.643	45%	0.454	S	S	*	.	H	α-helix	trans	-70.6	-49.4	-179.8	25.1	-31.7	0	0	0	112.2	I476 R477	P474-I476 PolarHBondContact O-N 3.48Å; P474-R477 WeakPolarHBondContact O-CB 3.06Å; P474-R477 PolarHBondContact O-N 3.39Å
475	F	48.5	Very low	59.6	Low	150 Å²	150	87.5 Å²	87.5	66%	0.658	47%	0.465	S	S	*	.	H	α-helix	trans	-58.6	-45.7	178.6	-101	-94	0	0	0	112.4	L472 R477 S478 V479	L472-F475 PolarHBondContact O-N 3.22Å; F475-R477 PolarHBondContact O-N 2.95Å; F475-R477 VanDerWaalsContact O-N 3.13Å; F475-S478 PolarHBondContact O-N 2.91Å; F475-V479 PolarHBondContact O-N 3.11Å
476	I	48.4	Very low	61.6	Low	30 Å²	30	82 Å²	82	15%	0.154	43%	0.431	C	S	.	.	H	α-helix	trans	-54.9	-33.3	176.2	-75.7	-179.4	0	0	0	111.8	M469 L472 P474 L480	M469-I476 HydrophobicContact CE-CD1 4.03Å; M469-I476 HydrophobicContact CE-CG2 4.27Å; M469-I476 HydrophobicContact SD-CD1 3.66Å; L472-I476 HydrophobicContact CB-CD1 3.78Å; L472-I476 HydrophobicContact CB-CG1 4.06Å; L472-I476 HydrophobicContact CD2-CD1 4.05Å; L472-I476 HydrophobicContact CD2-CG1 3.96Å; L472-I476 HydrophobicContact CG-CD1 4.31Å; L472-I476 HydrophobicContact CG-CG1 4.14Å; L472-I476 WeakPolarHBondContact O-CB 3.47Å; L472-I476 WeakPolarHBondContact O-CG1 3.12Å; L472-I476 PolarHBondContact O-N 2.86Å; P474-I476 PolarHBondContact O-N 3.48Å; I476-L480 HydrophobicContact CG2-CD1 3.42Å; I476-L480 VanDerWaalsContact CG2-CD1 3.42Å; I476-L480 HydrophobicContact CG2-CG 3.95Å; I476-L480 WeakPolarHBondContact O-CB 3.23Å; I476-L480 WeakPolarHBondContact O-CG 3.23Å; I476-L480 PolarHBondContact O-N 2.74Å
477	R	46.8	Very low	63.7	Low	214 Å²	214	77.6 Å²	77.6	81%	0.808	40%	0.4	S	S	*	.	H	α-helix	trans	-76.4	-24.6	-174.8	-133.1	177	-175.6	172.7	-0.5	114.3	K473 P474 F475	K473-R477 PolarHBondContact O-N 3.29Å; P474-R477 WeakPolarHBondContact O-CB 3.06Å; P474-R477 PolarHBondContact O-N 3.39Å; F475-R477 PolarHBondContact O-N 2.95Å; F475-R477 VanDerWaalsContact O-N 3.13Å
478	S	47.1	Very low	65.9	Low	87 Å²	87	72.1 Å²	72.1	61%	0.608	38%	0.376	S	S	*	.	H	α-helix	trans	-80.2	-43.9	169.8	-174.2	0	0	0	0	111.1	F475	F475-S478 PolarHBondContact O-N 2.91Å
479	V	51.7	Low	68.2	Low	47 Å²	47	67.8 Å²	67.8	29%	0.285	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-44.3	-177.7	178	0	0	0	0	112.2	R226 F475 T481	R226-V479 PolarHBondContact NH1-O 3.49Å; R226-V479 VanDerWaalsContact NH1-O 3.08Å; R226-V479 PolarHBondContact NH2-O 2.89Å; F475-V479 PolarHBondContact O-N 3.11Å; V479-T481 PolarHBondContact O-N 3.35Å
480	L	64	Low	70.4	Confident	38 Å²	38	64.5 Å²	64.5	20%	0.199	33%	0.332	C	S	.	.	S	Bend	trans	-74.4	120.9	-175.8	-68.8	-179.9	0	0	0	112.7	S457 I476	S457-L480 WeakPolarHBondContact OG-CB 3.28Å; S457-L480 WeakPolarHBondContact OG-CD1 3.39Å; I476-L480 HydrophobicContact CG2-CD1 3.42Å; I476-L480 VanDerWaalsContact CG2-CD1 3.42Å; I476-L480 HydrophobicContact CG2-CG 3.95Å; I476-L480 WeakPolarHBondContact O-CB 3.23Å; I476-L480 WeakPolarHBondContact O-CG 3.23Å; I476-L480 PolarHBondContact O-N 2.74Å
481	T	69.9	Low	72.7	Confident	8 Å²	8	58.4 Å²	58.4	5%	0.049	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-73.6	152.3	179.7	-146.5	0	0	0	0	112.3	A455 T456 S457 V479 K485	A455-T481 PolarHBondContact O-N 3.28Å; T456-T481 WeakPolarHBondContact CA-O 3.41Å; T456-T481 HydrophobicContact CG2-CG2 3.37Å; S457-T481 PolarHBondContact N-O 2.97Å; V479-T481 PolarHBondContact O-N 3.35Å; T481-K485 HydrophobicContact CG2-CB 4.35Å; T481-K485 VanDerWaalsContact OG1-CB 3.23Å; T481-K485 WeakPolarHBondContact OG1-CB 3.36Å
482	T	86.6	Confident	74.7	Confident	66 Å²	66	53.4 Å²	53.4	41%	0.405	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-72	154.9	-179.4	65.8	0	0	0	0	111	W484 K485 G486	T482-W484 PolarHBondContact O-N 2.81Å; T482-K485 PolarHBondContact O-N 3.04Å; T482-K485 VanDerWaalsContact O-N 3.12Å; T482-K485 WeakPolarHBondContact OG1-CG 3.44Å; T482-K485 PolarHBondContact OG1-N 3.41Å; T482-G486 PolarHBondContact O-N 2.64Å
483	P	90.1	Very high	76.8	Confident	34 Å²	34	49.8 Å²	49.8	22%	0.221	25%	0.248	C	C	.	.	H	α-helix	trans	-55	-35.3	175.1	-29.8	38.1	0	0	0	114.3	G486 A487	P483-G486 PolarHBondContact O-N 2.94Å; P483-A487 PolarHBondContact O-N 3.37Å; P483-A487 VanDerWaalsContact O-N 3.1Å
484	W	93.8	Very high	79.1	Confident	29 Å²	29	44.3 Å²	44.3	11%	0.11	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-51.8	171.4	176.3	70.1	0	0	0	112.9	L228 H252 D296 A298 T482 G486 A487	L228-W484 HydrophobicContact CD1-CH2 3.99Å; L228-W484 HydrophobicContact CD1-CZ3 4.45Å; L228-W484 HydrophobicContact CD2-CH2 4.16Å; L228-W484 HydrophobicContact CD2-CZ3 4.17Å; H252-W484 HydrophobicContact CB-CB 4.37Å; H252-W484 PolarHBondContact CD2-N 3.35Å; H252-W484 AromaticContact ND1-CD1 3.94Å; D296-W484 HydrophobicContact CB-CD2 4.35Å; D296-W484 HydrophobicContact CB-CG 4.09Å; D296-W484 WeakPolarHBondContact OD2-CB 3.29Å; D296-W484 VanDerWaalsContact OD2-CD1 3.24Å; A298-W484 HydrophobicContact CB-CH2 4.49Å; A298-W484 HydrophobicContact CB-CZ2 4.3Å; T482-W484 PolarHBondContact O-N 2.81Å; W484-G486 PolarHBondContact O-N 3.27Å; W484-A487 WeakPolarHBondContact O-CB 3.32Å; W484-A487 PolarHBondContact O-N 2.95Å
485	K	92.7	Very high	81.4	Confident	98 Å²	98	39.7 Å²	39.7	43%	0.426	19%	0.193	S	C	.	.	H	α-helix	trans	-58.9	-32.9	175.2	-72.6	-176.9	179.6	-178.7	0	111	L228 T481 T482 Q488	L228-K485 HydrophobicContact CD2-CG 4.29Å; T481-K485 HydrophobicContact CG2-CB 4.35Å; T481-K485 VanDerWaalsContact OG1-CB 3.23Å; T481-K485 WeakPolarHBondContact OG1-CB 3.36Å; T482-K485 PolarHBondContact O-N 3.04Å; T482-K485 VanDerWaalsContact O-N 3.12Å; T482-K485 WeakPolarHBondContact OG1-CG 3.44Å; T482-K485 PolarHBondContact OG1-N 3.41Å; K485-Q488 WeakPolarHBondContact O-CB 3.47Å; K485-Q488 WeakPolarHBondContact O-CG 3.41Å; K485-Q488 PolarHBondContact O-N 2.98Å
486	G	92.6	Very high	83.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-29.6	175.2	0	0	0	0	0	115.1	P453 T482 P483 W484 Q488	P453-G486 VanDerWaalsContact CB-O 3.23Å; P453-G486 WeakPolarHBondContact CB-O 3.45Å; P453-G486 VanDerWaalsContact O-CA 3.28Å; P453-G486 WeakPolarHBondContact O-CA 3.37Å; T482-G486 PolarHBondContact O-N 2.64Å; P483-G486 PolarHBondContact O-N 2.94Å; W484-G486 PolarHBondContact O-N 3.27Å; G486-Q488 VanDerWaalsContact C-N 3.25Å; G486-Q488 PolarHBondContact O-N 3.28Å
487	A	95.9	Very high	85.9	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.5	-18.5	175.1	0	0	0	0	0	113.2	I249 H252 P483 W484 T489 T490 L491	I249-A487 HydrophobicContact CG2-CB 4.39Å; H252-A487 HydrophobicContact CB-CB 3.95Å; P483-A487 PolarHBondContact O-N 3.37Å; P483-A487 VanDerWaalsContact O-N 3.1Å; W484-A487 WeakPolarHBondContact O-CB 3.32Å; W484-A487 PolarHBondContact O-N 2.95Å; A487-T489 PolarHBondContact O-N 3.06Å; A487-T490 WeakPolarHBondContact O-CA 3.44Å; A487-T490 WeakPolarHBondContact O-CB 3.08Å; A487-T490 PolarHBondContact O-N 3.33Å; A487-L491 HydrophobicContact CB-CD1 3.9Å; A487-L491 HydrophobicContact CB-CG 4.47Å; A487-L491 WeakPolarHBondContact O-CG 3.32Å; A487-L491 PolarHBondContact O-N 2.68Å
488	Q	96.7	Very high	88.1	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-35.4	-168.9	-65.6	-63.6	-49.2	0	0	114	L228 E256 K485 G486 Y492 C508	L228-Q488 HydrophobicContact CD2-CG 3.89Å; E256-Q488 PolarHBondContact OE2-NE2 3.2Å; K485-Q488 WeakPolarHBondContact O-CB 3.47Å; K485-Q488 WeakPolarHBondContact O-CG 3.41Å; K485-Q488 PolarHBondContact O-N 2.98Å; G486-Q488 VanDerWaalsContact C-N 3.25Å; G486-Q488 PolarHBondContact O-N 3.28Å; Q488-Y492 VanDerWaalsContact O-CB 3.31Å; Q488-Y492 WeakPolarHBondContact O-CB 3.38Å; Q488-Y492 PolarHBondContact O-N 2.93Å; Q488-C508 PolarHBondContact O-SG 2.99Å
489	T	96.9	Very high	90.4	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-71.6	-35.5	173.9	-59.9	0	0	0	0	111.5	L451 A487 Y492 T493 N507 C508	L451-T489 HydrophobicContact CB-CG2 3.96Å; L451-T489 HydrophobicContact CD1-CG2 4.35Å; L451-T489 HydrophobicContact CD2-CG2 4.47Å; A487-T489 PolarHBondContact O-N 3.06Å; T489-Y492 PolarHBondContact O-N 3.4Å; T489-T493 PolarHBondContact O-N 3.1Å; T489-T493 PolarHBondContact O-OG1 2.94Å; T489-N507 PolarHBondContact OG1-N 2.98Å; T489-C508 PolarHBondContact OG1-N 3.35Å
490	T	98.1	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-45.9	173.1	-44.8	0	0	0	0	111.5	T253 I345 I393 L451 A487 T493 A494	T253-T490 HydrophobicContact CG2-CG2 3.72Å; I345-T490 HydrophobicContact CD1-CG2 4.34Å; I345-T490 HydrophobicContact CG2-CG2 3.78Å; I393-T490 HydrophobicContact CG2-CG2 4.2Å; L451-T490 HydrophobicContact CD2-CG2 4.29Å; A487-T490 WeakPolarHBondContact O-CA 3.44Å; A487-T490 WeakPolarHBondContact O-CB 3.08Å; A487-T490 PolarHBondContact O-N 3.33Å; T490-T493 WeakPolarHBondContact CA-OG1 3.37Å; T490-T493 PolarHBondContact O-N 3.03Å; T490-T493 PolarHBondContact O-OG1 3.06Å; T490-A494 PolarHBondContact O-N 3.29Å
491	L	98.1	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65	-42.6	177.2	-69.1	162.7	0	0	0	111.4	E256 L257 A487 T493 A494 L495	E256-L491 HydrophobicContact CB-CD1 3.95Å; E256-L491 HydrophobicContact CB-CD2 3.82Å; E256-L491 HydrophobicContact CG-CD1 4.4Å; E256-L491 WeakPolarHBondContact OE2-CD1 3.45Å; L257-L491 HydrophobicContact CD2-CD2 4.06Å; L257-L491 HydrophobicContact CG-CD2 3.98Å; A487-L491 HydrophobicContact CB-CD1 3.9Å; A487-L491 HydrophobicContact CB-CG 4.47Å; A487-L491 WeakPolarHBondContact O-CG 3.32Å; A487-L491 PolarHBondContact O-N 2.68Å; L491-T493 VanDerWaalsContact C-N 3.34Å; L491-T493 PolarHBondContact O-N 3.23Å; L491-A494 PolarHBondContact O-N 3.31Å; L491-A494 VanDerWaalsContact O-N 3.1Å; L491-L495 HydrophobicContact CB-CD1 4.35Å; L491-L495 VanDerWaalsContact O-CB 3.28Å; L491-L495 WeakPolarHBondContact O-CB 3.45Å; L491-L495 WeakPolarHBondContact O-CD1 3.36Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 2.96Å
492	Y	98.1	Very high	95.5	Very high	24 Å²	24	31.7 Å²	31.7	9%	0.094	17%	0.171	C	C	.	.	H	α-helix	trans	-53.3	-50.6	170.1	180	-94.9	0	0	0	111.3	E220 T221 I231 Q488 T489 A494 L495 T496 Y505 C508	E220-Y492 HydrophobicContact CB-CE2 3.81Å; E220-Y492 WeakPolarHBondContact OE2-CE2 3.47Å; E220-Y492 VanDerWaalsContact OE2-CZ 3.31Å; E220-Y492 PolarHBondContact OE2-OH 3.02Å; T221-Y492 HydrophobicContact CG2-CD2 3.93Å; T221-Y492 HydrophobicContact CG2-CE2 3.99Å; I231-Y492 HydrophobicContact CD1-CD2 4.03Å; I231-Y492 HydrophobicContact CD1-CE2 4.16Å; Q488-Y492 VanDerWaalsContact O-CB 3.31Å; Q488-Y492 WeakPolarHBondContact O-CB 3.38Å; Q488-Y492 PolarHBondContact O-N 2.93Å; T489-Y492 PolarHBondContact O-N 3.4Å; Y492-A494 VanDerWaalsContact C-N 3.28Å; Y492-A494 PolarHBondContact O-N 2.87Å; Y492-L495 PolarHBondContact O-N 3.32Å; Y492-L495 VanDerWaalsContact O-N 3.1Å; Y492-T496 HydrophobicContact CD1-CG2 4.25Å; Y492-T496 HydrophobicContact CE1-CG2 3.79Å; Y492-T496 HydrophobicContact CE2-CG2 4.47Å; Y492-T496 WeakPolarHBondContact O-CG2 3.38Å; Y492-T496 PolarHBondContact O-N 3.46Å; Y492-Y505 HydrophobicContact CD1-CD1 4.26Å; Y492-Y505 AromaticContact CE1-CD1 3.95Å; Y492-Y505 HydrophobicContact CE1-CD1 3.95Å; Y492-Y505 AromaticContact CE1-CE1 3.9Å; Y492-Y505 HydrophobicContact CE1-CE1 3.9Å; Y492-C508 HydrophobicContact CD1-CB 4.18Å; Y492-C508 HydrophobicContact CD2-CB 3.92Å; Y492-C508 HydrophobicContact CG-CB 3.73Å
493	T	98.2	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-23.2	177.4	52.6	0	0	0	0	114.6	R391 V449 L451 T489 T490 L491 L499 Y505	R391-T493 PolarHBondContact NH1-O 3.49Å; V449-T493 HydrophobicContact CG2-CG2 4.14Å; L451-T493 HydrophobicContact CD2-CG2 4.11Å; L451-T493 VanDerWaalsContact CD2-OG1 3.28Å; L451-T493 WeakPolarHBondContact CD2-OG1 3.3Å; T489-T493 PolarHBondContact O-N 3.1Å; T489-T493 PolarHBondContact O-OG1 2.94Å; T490-T493 WeakPolarHBondContact CA-OG1 3.37Å; T490-T493 PolarHBondContact O-N 3.03Å; T490-T493 PolarHBondContact O-OG1 3.06Å; L491-T493 VanDerWaalsContact C-N 3.34Å; L491-T493 PolarHBondContact O-N 3.23Å; T493-L499 HydrophobicContact CG2-CD2 4.24Å; T493-L499 WeakPolarHBondContact O-CD1 3.16Å; T493-Y505 HydrophobicContact CG2-CD1 4.34Å; T493-Y505 HydrophobicContact CG2-CD2 3.92Å; T493-Y505 HydrophobicContact CG2-CG 3.8Å
494	A	98.3	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-79.8	-22.4	172.7	0	0	0	0	0	113.1	L257 F343 R391 I393 T490 L491 Y492	L257-A494 HydrophobicContact CD2-CB 3.99Å; F343-A494 HydrophobicContact CD1-CB 4.44Å; F343-A494 HydrophobicContact CE1-CB 4.31Å; F343-A494 VanDerWaalsContact CE1-O 3.29Å; F343-A494 WeakPolarHBondContact CE1-O 3.46Å; R391-A494 PolarHBondContact NH1-O 3.38Å; I393-A494 HydrophobicContact CD1-CB 4.02Å; T490-A494 PolarHBondContact O-N 3.29Å; L491-A494 PolarHBondContact O-N 3.31Å; L491-A494 VanDerWaalsContact O-N 3.1Å; Y492-A494 VanDerWaalsContact C-N 3.28Å; Y492-A494 PolarHBondContact O-N 2.87Å
495	L	97.8	Very high	96.6	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-115.2	-32.9	-165.7	-63.7	168.3	0	0	0	115.1	I231 K233 L235 L491 Y492	I231-L495 HydrophobicContact CB-CB 4.04Å; I231-L495 HydrophobicContact CD1-CB 3.99Å; I231-L495 HydrophobicContact CG2-CB 3.94Å; K233-L495 HydrophobicContact CB-CD2 4.23Å; K233-L495 HydrophobicContact CG-CD2 4.49Å; L235-L495 HydrophobicContact CD1-CD2 4.01Å; L235-L495 HydrophobicContact CD2-CD2 4.2Å; L235-L495 HydrophobicContact CG-CD2 4.2Å; L491-L495 HydrophobicContact CB-CD1 4.35Å; L491-L495 VanDerWaalsContact O-CB 3.28Å; L491-L495 WeakPolarHBondContact O-CB 3.45Å; L491-L495 WeakPolarHBondContact O-CD1 3.36Å; L491-L495 WeakPolarHBondContact O-CG 3.4Å; L491-L495 PolarHBondContact O-N 2.96Å; Y492-L495 PolarHBondContact O-N 3.32Å; Y492-L495 VanDerWaalsContact O-N 3.1Å
496	T	96.8	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.127	C	C	.	.			trans	-67.4	140.1	179.4	-174	0	0	0	0	111.5	E220 R391 Y492 N498 L499	E220-T496 PolarHBondContact OE1-OG1 2.99Å; E220-T496 VanDerWaalsContact OE2-CB 3.32Å; E220-T496 WeakPolarHBondContact OE2-CB 3.22Å; E220-T496 PolarHBondContact OE2-OG1 3.27Å; R391-T496 PolarHBondContact NH1-O 3.48Å; R391-T496 PolarHBondContact NH2-O 3.29Å; Y492-T496 HydrophobicContact CD1-CG2 4.25Å; Y492-T496 HydrophobicContact CE1-CG2 3.79Å; Y492-T496 HydrophobicContact CE2-CG2 4.47Å; Y492-T496 WeakPolarHBondContact O-CG2 3.38Å; Y492-T496 PolarHBondContact O-N 3.46Å; T496-N498 VanDerWaalsContact C-N 3.28Å; T496-N498 PolarHBondContact OG1-N 2.89Å; T496-L499 HydrophobicContact CG2-CD2 3.55Å; T496-L499 HydrophobicContact CG2-CG 3.85Å
497	E	94.3	Very high	96.7	Very high	123 Å²	123	25 Å²	25	58%	0.575	14%	0.139	S	C	*	.	S	Bend	trans	-81	-17.3	168.8	-45.7	-60.7	-162.3	0	0	111.3	K233 R391 L499	K233-E497 IonicContact NZ-OE1 3.93Å; K233-E497 PolarHBondContact NZ-OE1 3.12Å; K233-E497 IonicContact NZ-OE2 2.8Å; K233-E497 PolarHBondContact NZ-OE2 3.24Å; R391-E497 IonicContact NH2-OE2 3.14Å; R391-E497 PolarHBondContact NH2-OE2 3.05Å; E497-L499 PolarHBondContact O-N 2.85Å
498	N	92.9	Very high	96.7	Very high	109 Å²	109	25.1 Å²	25.1	58%	0.583	14%	0.14	S	C	*	.			trans	-86.8	45.4	-174	-60.2	-67.2	0	0	0	112.4	E220 T496	E220-N498 PolarHBondContact OE1-ND2 3.47Å; T496-N498 VanDerWaalsContact C-N 3.28Å; T496-N498 PolarHBondContact OG1-N 2.89Å
499	L	95.6	Very high	96.6	Very high	22 Å²	22	27 Å²	27	12%	0.115	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-80.5	136.4	174.8	-76	-171.2	0	0	0	112.2	V447 V449 T493 T496 E497 Y505	V447-L499 HydrophobicContact CB-CD1 4.26Å; V447-L499 HydrophobicContact CG1-CB 3.77Å; V447-L499 HydrophobicContact CG1-CD1 3.62Å; V447-L499 HydrophobicContact CG1-CG 4.39Å; V449-L499 HydrophobicContact CG1-CD1 4.2Å; V449-L499 HydrophobicContact CG1-CD2 4.22Å; T493-L499 HydrophobicContact CG2-CD2 4.24Å; T493-L499 WeakPolarHBondContact O-CD1 3.16Å; T496-L499 HydrophobicContact CG2-CD2 3.55Å; T496-L499 HydrophobicContact CG2-CG 3.85Å; E497-L499 PolarHBondContact O-N 2.85Å; L499-Y505 WeakPolarHBondContact CA-OH 3.38Å; L499-Y505 HydrophobicContact CD2-CE1 4.43Å; L499-Y505 HydrophobicContact CD2-CE2 3.97Å
500	T	97	Very high	96.6	Very high	65 Å²	65	30.6 Å²	30.6	40%	0.399	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-89.5	118.8	163.8	-52.8	0	0	0	0	108.9	G502 G503 Y505 L510	T500-G502 PolarHBondContact O-N 3.49Å; T500-G503 WeakPolarHBondContact O-CA 3.34Å; T500-G503 PolarHBondContact O-N 3.1Å; T500-Y505 PolarHBondContact N-OH 2.91Å; T500-L510 HydrophobicContact CG2-CD2 4.49Å
501	P	97.5	Very high	96.4	Very high	77 Å²	77	35.9 Å²	35.9	50%	0.5	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.4	173	-21.8	33.2	0	0	0	111.1	S438 V447 G503	S438-P501 VanDerWaalsContact OG-C 3.28Å; S438-P501 WeakPolarHBondContact OG-CA 3.41Å; S438-P501 WeakPolarHBondContact OG-CB 3.35Å; V447-P501 HydrophobicContact CG1-CG 4.43Å; P501-G503 PolarHBondContact O-N 2.96Å
502	G	97.6	Very high	96.3	Very high	11 Å²	11	43.3 Å²	43.3	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-1.8	-172	0	0	0	0	0	114.7	I435 S438 V448 T500	I435-G502 VanDerWaalsContact CG1-O 3.3Å; I435-G502 WeakPolarHBondContact CG1-O 3.47Å; S438-G502 VanDerWaalsContact CB-N 3.32Å; S438-G502 PolarHBondContact OG-N 3.49Å; V448-G502 WeakPolarHBondContact O-CA 3.23Å; V448-G502 PolarHBondContact O-N 3.31Å; T500-G502 PolarHBondContact O-N 3.49Å
503	G	97.7	Very high	96.1	Very high	6 Å²	6	43.2 Å²	43.2	6%	0.062	23%	0.229	C	C	.	.			trans	-62.1	143.4	-174.1	0	0	0	0	0	114.1	V449 S450 T500 P501	V449-G503 WeakPolarHBondContact CA-O 3.21Å; S450-G503 PolarHBondContact N-O 3.13Å; T500-G503 WeakPolarHBondContact O-CA 3.34Å; T500-G503 PolarHBondContact O-N 3.1Å; P501-G503 PolarHBondContact O-N 2.96Å
504	Y	98	Very high	95.7	Very high	6 Å²	6	43.6 Å²	43.6	2%	0.024	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.4	168.2	172.8	-113	0	0	0	109.5	H400 V431 S450 H452 K511 P513	H400-Y504 AromaticContact CE1-CE1 3.43Å; H400-Y504 VanDerWaalsContact CE1-CE1 3.43Å; H400-Y504 WeakPolarHBondContact CE1-CE1 3.45Å; H400-Y504 AromaticContact CE1-CE2 3.92Å; H400-Y504 AromaticContact CE1-CZ 3.33Å; H400-Y504 PolarHBondContact CE1-OH 2.8Å; H400-Y504 AromaticContact ND1-CE2 3.99Å; H400-Y504 AromaticContact ND1-CZ 3.57Å; H400-Y504 PolarHBondContact ND1-OH 2.79Å; V431-Y504 HydrophobicContact CG2-CD2 3.95Å; V431-Y504 HydrophobicContact CG2-CE2 4.21Å; S450-Y504 CarbonylContact O-C 3.53Å; S450-Y504 VanDerWaalsContact O-CA 3.32Å; S450-Y504 WeakPolarHBondContact O-CA 3.29Å; H452-Y504 HydrophobicContact CB-CE2 4.38Å; H452-Y504 WeakPolarHBondContact CB-OH 3.29Å; Y504-K511 HydrophobicContact CD1-CB 3.89Å; Y504-K511 HydrophobicContact CE1-CB 4.2Å; Y504-K511 PolarHBondContact O-N 2.84Å; Y504-P513 HydrophobicContact CD1-CB 4.42Å; Y504-P513 HydrophobicContact CG-CB 4.33Å
505	Y	97.6	Very high	95.4	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.3	-176.2	-72.9	-98.4	0	0	0	111.6	V449 S450 L451 H452 Y492 T493 L499 T500 T509 L510	V449-Y505 HydrophobicContact CB-CD2 4.33Å; V449-Y505 HydrophobicContact CB-CE2 4.39Å; V449-Y505 HydrophobicContact CG1-CD2 4.31Å; V449-Y505 HydrophobicContact CG1-CE2 3.88Å; S450-Y505 PolarHBondContact O-N 3.11Å; L451-Y505 CarbonylContact C-O 3.34Å; L451-Y505 WeakPolarHBondContact CA-O 3.33Å; L451-Y505 VanDerWaalsContact CB-O 3.26Å; L451-Y505 WeakPolarHBondContact CB-O 3.37Å; H452-Y505 PolarHBondContact N-O 2.88Å; Y492-Y505 HydrophobicContact CD1-CD1 4.26Å; Y492-Y505 AromaticContact CE1-CD1 3.95Å; Y492-Y505 HydrophobicContact CE1-CD1 3.95Å; Y492-Y505 AromaticContact CE1-CE1 3.9Å; Y492-Y505 HydrophobicContact CE1-CE1 3.9Å; T493-Y505 HydrophobicContact CG2-CD1 4.34Å; T493-Y505 HydrophobicContact CG2-CD2 3.92Å; T493-Y505 HydrophobicContact CG2-CG 3.8Å; L499-Y505 WeakPolarHBondContact CA-OH 3.38Å; L499-Y505 HydrophobicContact CD2-CE1 4.43Å; L499-Y505 HydrophobicContact CD2-CE2 3.97Å; T500-Y505 PolarHBondContact N-OH 2.91Å; Y505-T509 CarbonylContact C-O 3.36Å; Y505-T509 WeakPolarHBondContact CA-O 3.27Å; Y505-L510 HydrophobicContact CD1-CB 4.38Å; Y505-L510 HydrophobicContact CD2-CD1 4.34Å; Y505-L510 HydrophobicContact CE1-CB 3.94Å; Y505-L510 HydrophobicContact CE1-CD1 4.37Å; Y505-L510 HydrophobicContact CE2-CD1 3.86Å
506	S	94.5	Very high	94.9	Very high	20 Å²	20	53.3 Å²	53.3	14%	0.14	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	136.6	169.3	-177.7	0	0	0	0	108.9	C508 T509	S506-C508 PolarHBondContact O-N 3.02Å; S506-T509 PolarHBondContact N-O 3.12Å; S506-T509 PolarHBondContact O-N 2.92Å; S506-T509 VanDerWaalsContact O-O 3.06Å
507	N	93.9	Very high	94.6	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	55.1	-178.6	-162.6	26	0	0	0	111.9	W225 R226 K227 T489 T509	W225-N507 PolarHBondContact O-ND2 2.94Å; R226-N507 WeakPolarHBondContact CA-OD1 3.48Å; K227-N507 WeakPolarHBondContact CD-O 3.13Å; K227-N507 PolarHBondContact N-OD1 3.24Å; T489-N507 PolarHBondContact OG1-N 2.98Å; N507-T509 PolarHBondContact O-N 2.92Å; N507-T509 PolarHBondContact O-OG1 2.98Å
508	C	94.8	Very high	94.3	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.02	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	33.7	-176.5	-54.3	0	0	0	0	114.7	T221 K227 Q488 T489 Y492 S506	T221-C508 HydrophobicContact CG2-CB 3.5Å; T221-C508 VanDerWaalsContact CG2-CB 3.5Å; K227-C508 HydrophobicContact CB-CB 3.82Å; K227-C508 HydrophobicContact CD-CB 4.29Å; K227-C508 PolarHBondContact O-SG 3.49Å; Q488-C508 PolarHBondContact O-SG 2.99Å; T489-C508 PolarHBondContact OG1-N 3.35Å; Y492-C508 HydrophobicContact CD1-CB 4.18Å; Y492-C508 HydrophobicContact CD2-CB 3.92Å; Y492-C508 HydrophobicContact CG-CB 3.73Å; S506-C508 PolarHBondContact O-N 3.02Å
509	T	94.9	Very high	94.4	Very high	41 Å²	41	51.1 Å²	51.1	25%	0.252	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.7	-173.9	-47.7	0	0	0	0	109.9	K227 Y505 S506 N507	K227-T509 PolarHBondContact NZ-OG1 3.31Å; Y505-T509 CarbonylContact C-O 3.36Å; Y505-T509 WeakPolarHBondContact CA-O 3.27Å; S506-T509 PolarHBondContact N-O 3.12Å; S506-T509 PolarHBondContact O-N 2.92Å; S506-T509 VanDerWaalsContact O-O 3.06Å; N507-T509 PolarHBondContact O-N 2.92Å; N507-T509 PolarHBondContact O-OG1 2.98Å
510	L	96.5	Very high	94.4	Very high	82 Å²	82	52.8 Å²	52.8	43%	0.429	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	137.5	172.6	-176.5	68.2	0	0	0	110.3	T500 Y505	T500-L510 HydrophobicContact CG2-CD2 4.49Å; Y505-L510 HydrophobicContact CD1-CB 4.38Å; Y505-L510 HydrophobicContact CD2-CD1 4.34Å; Y505-L510 HydrophobicContact CE1-CB 3.94Å; Y505-L510 HydrophobicContact CE1-CD1 4.37Å; Y505-L510 HydrophobicContact CE2-CD1 3.86Å
511	K	95.3	Very high	94.3	Very high	110 Å²	110	56.2 Å²	56.2	48%	0.478	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158.4	178.9	-65.6	-62.8	-177.3	174.6	0	110.8	Y504	Y504-K511 HydrophobicContact CD1-CB 3.89Å; Y504-K511 HydrophobicContact CE1-CB 4.2Å; Y504-K511 PolarHBondContact O-N 2.84Å
512	K	94.7	Very high	94.1	Very high	156 Å²	156	53.5 Å²	53.5	68%	0.678	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-75.2	125.1	173	-170.7	170	-176.3	173.4	0	109	Q518	K512-Q518 VanDerWaalsContact CE-CD 3.47Å
513	P	93.7	Very high	94	Very high	23 Å²	23	53.7 Å²	53.7	15%	0.149	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.4	173.3	176.6	32.2	-35.6	0	0	0	111.6	V431 I435 Y504 A517 Q518	V431-P513 HydrophobicContact CG1-CB 3.54Å; V431-P513 HydrophobicContact CG1-CG 4.49Å; I435-P513 HydrophobicContact CD1-CG 4.08Å; Y504-P513 HydrophobicContact CD1-CB 4.42Å; Y504-P513 HydrophobicContact CG-CB 4.33Å; P513-A517 HydrophobicContact CB-CB 4.2Å; P513-Q518 HydrophobicContact CG-CG 4.32Å; P513-Q518 PolarHBondContact O-NE2 2.85Å
514	S	90.2	Very high	93.8	Very high	7 Å²	7	58.4 Å²	58.4	5%	0.049	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-55.9	156.3	-179.4	96.4	0	0	0	0	114.1	H400 L428 Y516 A517 Q518	H400-S514 PolarHBondContact NE2-N 3.03Å; L428-S514 VanDerWaalsContact CD1-OG 3.23Å; L428-S514 WeakPolarHBondContact CD1-OG 3.34Å; S514-Y516 PolarHBondContact O-N 3.32Å; S514-Y516 VanDerWaalsContact O-N 3.14Å; S514-Y516 PolarHBondContact OG-N 3.07Å; S514-A517 PolarHBondContact O-N 2.68Å; S514-A517 VanDerWaalsContact O-N 3.11Å; S514-Q518 PolarHBondContact O-N 2.96Å; S514-Q518 PolarHBondContact O-NE2 3.1Å
515	K	91.3	Very high	93.7	Very high	147 Å²	147	61.7 Å²	61.7	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-59	-25.1	-179.9	68.6	-173.9	179	-173.1	0	114.3
516	Y	87.2	Confident	93.6	Very high	59 Å²	59	61.5 Å²	61.5	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-78.8	-35.9	177.4	-65.8	-69.3	0	0	0	112	G403 C404 L428 S514 Q518	G403-Y516 WeakPolarHBondContact O-CD2 3.37Å; G403-Y516 WeakPolarHBondContact O-CE2 3.48Å; C404-Y516 HydrophobicContact CB-CE2 4.34Å; L428-Y516 HydrophobicContact CD2-CD2 4.4Å; S514-Y516 PolarHBondContact O-N 3.32Å; S514-Y516 VanDerWaalsContact O-N 3.14Å; S514-Y516 PolarHBondContact OG-N 3.07Å; Y516-Q518 VanDerWaalsContact C-N 3.29Å; Y516-Q518 PolarHBondContact O-N 3.07Å
517	A	91.2	Very high	93.7	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-69	-27.4	177.2	0	0	0	0	0	112.9	L428 V431 I432 I435 P513 S514 R523	L428-A517 HydrophobicContact CD1-CB 4.06Å; V431-A517 HydrophobicContact CG1-CB 3.95Å; I432-A517 HydrophobicContact CG1-CB 4.08Å; I435-A517 HydrophobicContact CD1-CB 3.85Å; P513-A517 HydrophobicContact CB-CB 4.2Å; S514-A517 PolarHBondContact O-N 2.68Å; S514-A517 VanDerWaalsContact O-N 3.11Å; A517-R523 VanDerWaalsContact O-CD 3.3Å; A517-R523 WeakPolarHBondContact O-CD 3.46Å; A517-R523 WeakPolarHBondContact O-CG 3.15Å; A517-R523 PolarHBondContact O-NH1 2.91Å
518	Q	89.1	Confident	93.8	Very high	80 Å²	80	62.2 Å²	62.2	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-70.4	-29.5	179.4	-71.3	167	65.2	0	0	113.8	K512 P513 S514 Y516 R523	K512-Q518 VanDerWaalsContact CE-CD 3.47Å; P513-Q518 HydrophobicContact CG-CG 4.32Å; P513-Q518 PolarHBondContact O-NE2 2.85Å; S514-Q518 PolarHBondContact O-N 2.96Å; S514-Q518 PolarHBondContact O-NE2 3.1Å; Y516-Q518 VanDerWaalsContact C-N 3.29Å; Y516-Q518 PolarHBondContact O-N 3.07Å; Q518-R523 PolarHBondContact O-NH1 2.62Å
519	K	94.2	Very high	93.8	Very high	105 Å²	105	63.7 Å²	63.7	46%	0.457	30%	0.296	S	S	.	.			trans	-75.3	125.3	-176.7	-73.1	177.6	171.7	-167.9	0	112.6	D522 R523	K519-D522 HydrophobicContact CB-CB 3.94Å; K519-D522 HydrophobicContact CD-CB 4.42Å; K519-D522 WeakPolarHBondContact CD-OD2 3.07Å; K519-D522 IonicContact NZ-OD2 3.72Å; K519-D522 PolarHBondContact NZ-OD2 2.79Å; K519-R523 WeakPolarHBondContact O-CG 3.45Å; K519-R523 PolarHBondContact O-N 3.15Å; K519-R523 VanDerWaalsContact O-N 3.1Å
520	V	95.2	Very high	93.9	Very high	58 Å²	58	61.7 Å²	61.7	35%	0.352	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-40.1	-175.6	-176.1	0	0	0	0	111.6	R523 K524	V520-R523 PolarHBondContact O-N 3.46Å; V520-K524 HydrophobicContact CG1-CD 4.04Å; V520-K524 HydrophobicContact CG1-CG 4.44Å; V520-K524 WeakPolarHBondContact O-CB 3.42Å; V520-K524 WeakPolarHBondContact O-CG 3.42Å; V520-K524 PolarHBondContact O-N 2.89Å
521	E	94.6	Very high	93.9	Very high	136 Å²	136	58.2 Å²	58.2	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-69.2	-41.6	-176	-52.9	66.8	-142.6	0	0	110.6	W525	E521-W525 VanDerWaalsContact O-CB 3.24Å; E521-W525 WeakPolarHBondContact O-CB 3.4Å; E521-W525 PolarHBondContact O-N 2.54Å
522	D	93.5	Very high	94	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.112	27%	0.271	C	S	.	.	H	α-helix	trans	-67.8	-40.8	176	-85.2	-32.3	0	0	0	111.1	I405 K407 K519 F526	I405-D522 HydrophobicContact CD1-CB 3.71Å; K407-D522 WeakPolarHBondContact CE-OD1 3.21Å; K407-D522 IonicContact NZ-OD1 2.71Å; K407-D522 PolarHBondContact NZ-OD1 3.35Å; K519-D522 HydrophobicContact CB-CB 3.94Å; K519-D522 HydrophobicContact CD-CB 4.42Å; K519-D522 WeakPolarHBondContact CD-OD2 3.07Å; K519-D522 IonicContact NZ-OD2 3.72Å; K519-D522 PolarHBondContact NZ-OD2 2.79Å; D522-F526 VanDerWaalsContact O-CB 3.29Å; D522-F526 WeakPolarHBondContact O-CB 3.21Å; D522-F526 PolarHBondContact O-N 3.02Å
523	R	95.2	Very high	94	Very high	15 Å²	15	53.8 Å²	53.8	6%	0.057	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-50.4	173.1	-72.3	-159.2	-53.6	-86.8	8.2	112.9	I432 I435 E436 A517 Q518 K519 V520 W525 F526 W527	I432-R523 HydrophobicContact CG1-CG 4.48Å; I432-R523 HydrophobicContact CG2-CB 4.34Å; I432-R523 HydrophobicContact CG2-CG 4.1Å; I435-R523 VanDerWaalsContact CG2-CZ 3.47Å; E436-R523 HydrophobicContact CB-CB 4.38Å; E436-R523 WeakPolarHBondContact OE2-CB 3.4Å; E436-R523 IonicContact OE2-NE 2.65Å; E436-R523 PolarHBondContact OE2-NE 3.17Å; A517-R523 VanDerWaalsContact O-CD 3.3Å; A517-R523 WeakPolarHBondContact O-CD 3.46Å; A517-R523 WeakPolarHBondContact O-CG 3.15Å; A517-R523 PolarHBondContact O-NH1 2.91Å; Q518-R523 PolarHBondContact O-NH1 2.62Å; K519-R523 WeakPolarHBondContact O-CG 3.45Å; K519-R523 PolarHBondContact O-N 3.15Å; K519-R523 VanDerWaalsContact O-N 3.1Å; V520-R523 PolarHBondContact O-N 3.46Å; R523-W525 VanDerWaalsContact C-N 3.32Å; R523-W525 PolarHBondContact O-N 3.46Å; R523-F526 WeakPolarHBondContact O-CB 3.47Å; R523-F526 PolarHBondContact O-N 2.77Å; R523-F526 VanDerWaalsContact O-N 3.12Å; R523-W527 WeakPolarHBondContact O-CB 3.32Å; R523-W527 PolarHBondContact O-N 2.75Å
524	K	95.1	Very high	94.1	Very high	105 Å²	105	53 Å²	53	46%	0.457	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-40.9	179.7	-76.6	-176.9	177.7	-167.7	0	111.8	E436 V520 N528	E436-K524 VanDerWaalsContact OE1-CG 3.3Å; E436-K524 WeakPolarHBondContact OE1-CG 3.38Å; V520-K524 HydrophobicContact CG1-CD 4.04Å; V520-K524 HydrophobicContact CG1-CG 4.44Å; V520-K524 WeakPolarHBondContact O-CB 3.42Å; V520-K524 WeakPolarHBondContact O-CG 3.42Å; V520-K524 PolarHBondContact O-N 2.89Å; K524-N528 WeakPolarHBondContact O-CB 3.35Å; K524-N528 PolarHBondContact O-N 2.93Å; K524-N528 PolarHBondContact O-OD1 3.47Å
525	W	95	Very high	94.3	Very high	75 Å²	75	58.3 Å²	58.3	28%	0.284	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-45.2	172.8	178.8	84.3	0	0	0	111.9	I405 L406 K407 P408 L410 E521 R523 N528 K529	I405-W525 HydrophobicContact CG2-CE3 4Å; I405-W525 HydrophobicContact CG2-CZ3 3.55Å; L406-W525 WeakPolarHBondContact O-CH2 2.8Å; K407-W525 HydrophobicContact CB-CH2 3.97Å; K407-W525 HydrophobicContact CB-CZ2 4.04Å; K407-W525 HydrophobicContact CD-CD2 3.9Å; K407-W525 HydrophobicContact CD-CE3 3.91Å; K407-W525 HydrophobicContact CD-CH2 4.11Å; K407-W525 HydrophobicContact CD-CZ2 4.05Å; K407-W525 HydrophobicContact CD-CZ3 4.01Å; K407-W525 HydrophobicContact CG-CD2 4.46Å; K407-W525 HydrophobicContact CG-CE3 4.14Å; K407-W525 HydrophobicContact CG-CH2 3.61Å; K407-W525 HydrophobicContact CG-CZ2 3.93Å; K407-W525 HydrophobicContact CG-CZ3 3.7Å; P408-W525 WeakPolarHBondContact O-CZ2 3.42Å; L410-W525 HydrophobicContact CD2-CE3 4.36Å; L410-W525 HydrophobicContact CD2-CH2 3.74Å; L410-W525 HydrophobicContact CD2-CZ3 3.39Å; L410-W525 HydrophobicContact CG-CH2 4.15Å; L410-W525 HydrophobicContact CG-CZ3 4.27Å; E521-W525 VanDerWaalsContact O-CB 3.24Å; E521-W525 WeakPolarHBondContact O-CB 3.4Å; E521-W525 PolarHBondContact O-N 2.54Å; R523-W525 VanDerWaalsContact C-N 3.32Å; R523-W525 PolarHBondContact O-N 3.46Å; W525-N528 PolarHBondContact O-N 3.12Å; W525-K529 HydrophobicContact CH2-CB 4.37Å; W525-K529 HydrophobicContact CH2-CG 4.21Å; W525-K529 HydrophobicContact CZ2-CB 4.2Å; W525-K529 HydrophobicContact CZ2-CG 4.1Å; W525-K529 WeakPolarHBondContact O-CB 3.19Å; W525-K529 PolarHBondContact O-N 2.62Å
526	F	96	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-48.6	179.8	-157.7	-69	0	0	0	111.3	Y370 I405 L410 L425 A429 I432 D522 R523 K529 T530	Y370-F526 HydrophobicContact CD1-CE1 4.25Å; Y370-F526 HydrophobicContact CE1-CD1 4.34Å; Y370-F526 AromaticContact CE1-CE1 3.59Å; Y370-F526 HydrophobicContact CE1-CE1 3.59Å; Y370-F526 AromaticContact CZ-CE1 3.85Å; I405-F526 HydrophobicContact CB-CD2 4.45Å; I405-F526 HydrophobicContact CD1-CD2 4.11Å; I405-F526 HydrophobicContact CG1-CD2 3.95Å; I405-F526 HydrophobicContact CG1-CE2 4.1Å; I405-F526 HydrophobicContact CG2-CD2 3.78Å; I405-F526 HydrophobicContact CG2-CE2 4.14Å; L410-F526 HydrophobicContact CD1-CD1 4.34Å; L410-F526 HydrophobicContact CD1-CE1 4.36Å; L410-F526 HydrophobicContact CD2-CB 4.4Å; L410-F526 HydrophobicContact CD2-CD1 3.83Å; L410-F526 HydrophobicContact CD2-CD2 3.51Å; L410-F526 HydrophobicContact CD2-CE1 3.88Å; L410-F526 HydrophobicContact CD2-CE2 3.58Å; L410-F526 HydrophobicContact CD2-CG 3.63Å; L410-F526 HydrophobicContact CD2-CZ 3.75Å; L425-F526 HydrophobicContact CD1-CE2 4.16Å; L425-F526 HydrophobicContact CD1-CZ 4.47Å; A429-F526 HydrophobicContact CB-CE1 3.69Å; A429-F526 HydrophobicContact CB-CZ 3.5Å; I432-F526 HydrophobicContact CD1-CD2 3.61Å; I432-F526 HydrophobicContact CD1-CE2 3.83Å; I432-F526 HydrophobicContact CD1-CG 4.14Å; I432-F526 HydrophobicContact CG2-CB 3.91Å; I432-F526 HydrophobicContact CG2-CD1 4.04Å; I432-F526 HydrophobicContact CG2-CD2 4.44Å; I432-F526 HydrophobicContact CG2-CG 3.89Å; D522-F526 VanDerWaalsContact O-CB 3.29Å; D522-F526 WeakPolarHBondContact O-CB 3.21Å; D522-F526 PolarHBondContact O-N 3.02Å; R523-F526 WeakPolarHBondContact O-CB 3.47Å; R523-F526 PolarHBondContact O-N 2.77Å; R523-F526 VanDerWaalsContact O-N 3.12Å; F526-K529 PolarHBondContact O-N 3.14Å; F526-T530 PolarHBondContact O-N 2.78Å; F526-T530 PolarHBondContact O-OG1 3.25Å; F526-T530 VanDerWaalsContact O-OG1 3.05Å
527	W	95.7	Very high	94.2	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.023	28%	0.276	C	S	.	.	H	α-helix	trans	-56.8	-54.9	175.4	176.5	-76.5	0	0	0	111.8	F374 E378 H433 E436 L437 R440 R523 K529 T530 C531 C538	F374-W527 HydrophobicContact CE2-CD2 4.06Å; F374-W527 AromaticContact CE2-CE3 3.62Å; F374-W527 HydrophobicContact CE2-CE3 3.62Å; F374-W527 HydrophobicContact CE2-CH2 4.01Å; F374-W527 HydrophobicContact CE2-CZ2 4.44Å; F374-W527 AromaticContact CE2-CZ3 3.6Å; F374-W527 HydrophobicContact CE2-CZ3 3.6Å; F374-W527 AromaticContact CZ-CD2 3.97Å; F374-W527 HydrophobicContact CZ-CD2 3.97Å; F374-W527 AromaticContact CZ-CE2 3.99Å; F374-W527 AromaticContact CZ-CE3 3.98Å; F374-W527 HydrophobicContact CZ-CE3 3.98Å; F374-W527 AromaticContact CZ-CH2 3.95Å; F374-W527 HydrophobicContact CZ-CH2 3.95Å; F374-W527 AromaticContact CZ-CZ2 3.99Å; F374-W527 HydrophobicContact CZ-CZ2 3.99Å; F374-W527 AromaticContact CZ-CZ3 3.98Å; F374-W527 HydrophobicContact CZ-CZ3 3.98Å; E378-W527 WeakPolarHBondContact OE1-CH2 3.43Å; H433-W527 AromaticContact CD2-CZ3 3.86Å; E436-W527 HydrophobicContact CB-CE3 4.1Å; E436-W527 HydrophobicContact CG-CB 3.92Å; E436-W527 HydrophobicContact CG-CD2 3.96Å; E436-W527 HydrophobicContact CG-CE3 3.62Å; E436-W527 HydrophobicContact CG-CG 4.08Å; L437-W527 HydrophobicContact CB-CZ3 3.97Å; L437-W527 HydrophobicContact CD1-CH2 3.59Å; L437-W527 HydrophobicContact CD1-CZ3 3.88Å; R440-W527 VanDerWaalsContact CZ-NE1 3.3Å; R440-W527 VanDerWaalsContact NH1-NE1 3.19Å; R523-W527 WeakPolarHBondContact O-CB 3.32Å; R523-W527 PolarHBondContact O-N 2.75Å; W527-K529 VanDerWaalsContact C-N 3.25Å; W527-K529 PolarHBondContact O-N 3.42Å; W527-T530 WeakPolarHBondContact O-CB 2.93Å; W527-T530 PolarHBondContact O-N 3.46Å; W527-C531 PolarHBondContact NE1-SG 2.97Å; W527-C531 VanDerWaalsContact NE1-SG 3.4Å; W527-C531 PolarHBondContact O-N 3.28Å; W527-C531 PolarHBondContact O-SG 3.29Å; W527-C538 HydrophobicContact CZ2-CB 3.88Å; W527-C538 VanDerWaalsContact NE1-CB 3.33Å
528	N	95.4	Very high	93.2	Very high	78 Å²	78	59.1 Å²	59.1	42%	0.417	28%	0.281	S	S	.	.	H	α-helix	trans	-59.4	-38.3	-177.7	-69.1	1.4	0	0	0	111.4	K524 W525 C531 E532	K524-N528 WeakPolarHBondContact O-CB 3.35Å; K524-N528 PolarHBondContact O-N 2.93Å; K524-N528 PolarHBondContact O-OD1 3.47Å; W525-N528 PolarHBondContact O-N 3.12Å; N528-C531 PolarHBondContact O-N 2.86Å; N528-E532 WeakPolarHBondContact O-CB 3.27Å; N528-E532 PolarHBondContact O-N 2.68Å
529	K	96.6	Very high	91.9	Very high	33 Å²	33	58.3 Å²	58.3	14%	0.143	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-33.4	176.9	-173.4	55.6	171.7	-177.2	0	112.8	P408 L410 W525 F526 W527 E532 L533	P408-K529 WeakPolarHBondContact O-CE 3.49Å; L410-K529 HydrophobicContact CD1-CB 3.8Å; L410-K529 HydrophobicContact CD1-CG 3.69Å; L410-K529 HydrophobicContact CG-CB 4.14Å; L410-K529 HydrophobicContact CG-CG 3.74Å; W525-K529 HydrophobicContact CH2-CB 4.37Å; W525-K529 HydrophobicContact CH2-CG 4.21Å; W525-K529 HydrophobicContact CZ2-CB 4.2Å; W525-K529 HydrophobicContact CZ2-CG 4.1Å; W525-K529 WeakPolarHBondContact O-CB 3.19Å; W525-K529 PolarHBondContact O-N 2.62Å; F526-K529 PolarHBondContact O-N 3.14Å; W527-K529 VanDerWaalsContact C-N 3.25Å; W527-K529 PolarHBondContact O-N 3.42Å; K529-E532 HydrophobicContact CD-CB 4.37Å; K529-E532 WeakPolarHBondContact CD-OE2 3.08Å; K529-E532 IonicContact NZ-OE1 2.71Å; K529-E532 PolarHBondContact NZ-OE1 3.24Å; K529-E532 IonicContact NZ-OE2 3.59Å; K529-E532 PolarHBondContact NZ-OE2 2.71Å; K529-E532 PolarHBondContact O-N 3.31Å; K529-L533 WeakPolarHBondContact O-CB 3.04Å; K529-L533 VanDerWaalsContact O-CG 3.32Å; K529-L533 WeakPolarHBondContact O-CG 3.13Å; K529-L533 PolarHBondContact O-N 2.69Å
530	T	97.1	Very high	89.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-42.8	170.8	-55.2	0	0	0	0	111.6	Y370 F374 L410 F526 W527 E532 L533 L534	Y370-T530 HydrophobicContact CE1-CG2 3.75Å; Y370-T530 VanDerWaalsContact CE1-OG1 3.32Å; Y370-T530 WeakPolarHBondContact CE1-OG1 3.39Å; Y370-T530 WeakPolarHBondContact OH-CB 3.36Å; Y370-T530 WeakPolarHBondContact OH-CG2 3.16Å; Y370-T530 PolarHBondContact OH-OG1 3.3Å; F374-T530 HydrophobicContact CB-CG2 4.34Å; F374-T530 HydrophobicContact CD1-CG2 3.58Å; F374-T530 HydrophobicContact CD2-CG2 4.13Å; F374-T530 HydrophobicContact CE1-CG2 3.77Å; F374-T530 HydrophobicContact CE2-CG2 4.31Å; F374-T530 HydrophobicContact CG-CG2 3.76Å; F374-T530 HydrophobicContact CZ-CG2 4.14Å; L410-T530 WeakPolarHBondContact CD1-OG1 3.28Å; F526-T530 PolarHBondContact O-N 2.78Å; F526-T530 PolarHBondContact O-OG1 3.25Å; F526-T530 VanDerWaalsContact O-OG1 3.05Å; W527-T530 WeakPolarHBondContact O-CB 2.93Å; W527-T530 PolarHBondContact O-N 3.46Å; T530-E532 VanDerWaalsContact C-N 3.34Å; T530-E532 PolarHBondContact O-N 2.9Å; T530-L533 PolarHBondContact O-N 3.35Å; T530-L534 HydrophobicContact CG2-CD1 3.97Å; T530-L534 WeakPolarHBondContact O-CB 3.32Å; T530-L534 WeakPolarHBondContact O-CG 3.43Å; T530-L534 PolarHBondContact O-N 3.05Å
531	C	96.4	Very high	89.4	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-37.9	177.1	-56.8	0	0	0	0	112.1	W527 N528 L534 N535 I536 C538	W527-C531 PolarHBondContact NE1-SG 2.97Å; W527-C531 VanDerWaalsContact NE1-SG 3.4Å; W527-C531 PolarHBondContact O-N 3.28Å; W527-C531 PolarHBondContact O-SG 3.29Å; N528-C531 PolarHBondContact O-N 2.86Å; C531-L534 PolarHBondContact O-N 3.07Å; C531-N535 PolarHBondContact O-N 3.34Å; C531-N535 VanDerWaalsContact O-N 3.1Å; C531-I536 HydrophobicContact CB-CG1 4.36Å; C531-I536 PolarHBondContact O-N 3.37Å; C531-C538 HydrophobicContact CB-CB 3.96Å; C531-C538 WeakPolarHBondContact CB-SG 3.29Å; C531-C538 WeakPolarHBondContact SG-CB 3.44Å; C531-C538 CovalentContact SG-SG 2.03Å; C531-C538 PolarHBondContact SG-SG 3.11Å
532	E	95.6	Very high	89.1	Confident	121 Å²	121	58.2 Å²	58.2	57%	0.565	28%	0.284	S	S	*	.	H	α-helix	trans	-60.7	-51.7	171.2	-167.8	-150	122.4	0	0	111.5	N528 K529 T530 L534 N535	N528-E532 WeakPolarHBondContact O-CB 3.27Å; N528-E532 PolarHBondContact O-N 2.68Å; K529-E532 HydrophobicContact CD-CB 4.37Å; K529-E532 WeakPolarHBondContact CD-OE2 3.08Å; K529-E532 IonicContact NZ-OE1 2.71Å; K529-E532 PolarHBondContact NZ-OE1 3.24Å; K529-E532 IonicContact NZ-OE2 3.59Å; K529-E532 PolarHBondContact NZ-OE2 2.71Å; K529-E532 PolarHBondContact O-N 3.31Å; T530-E532 VanDerWaalsContact C-N 3.34Å; T530-E532 PolarHBondContact O-N 2.9Å; E532-L534 VanDerWaalsContact C-N 3.26Å; E532-L534 PolarHBondContact O-N 3.34Å; E532-N535 PolarHBondContact O-N 3.11Å
533	L	95.7	Very high	88.8	Confident	51 Å²	51	60.2 Å²	60.2	27%	0.267	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-31	179	-75.3	177.9	0	0	0	113.6	F362 L410 K529 T530	F362-L533 HydrophobicContact CE1-CB 4.09Å; L410-L533 HydrophobicContact CB-CD1 4.39Å; L410-L533 HydrophobicContact CD1-CD1 4.03Å; K529-L533 WeakPolarHBondContact O-CB 3.04Å; K529-L533 VanDerWaalsContact O-CG 3.32Å; K529-L533 WeakPolarHBondContact O-CG 3.13Å; K529-L533 PolarHBondContact O-N 2.69Å; T530-L533 PolarHBondContact O-N 3.35Å
534	L	96.3	Very high	88.5	Confident	7 Å²	7	62.9 Å²	62.9	4%	0.037	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.6	176.4	-75.2	173.6	0	0	0	113.8	L324 I371 F374 L375 T530 C531 E532 I536	L324-L534 HydrophobicContact CD1-CD2 3.59Å; L324-L534 HydrophobicContact CD2-CD2 3.57Å; L324-L534 HydrophobicContact CG-CD2 4.23Å; I371-L534 HydrophobicContact CG2-CD1 4.39Å; I371-L534 HydrophobicContact CG2-CD2 3.6Å; I371-L534 HydrophobicContact CG2-CG 4.05Å; F374-L534 HydrophobicContact CD1-CD1 3.48Å; F374-L534 VanDerWaalsContact CD1-CD1 3.48Å; F374-L534 HydrophobicContact CE1-CD1 4.01Å; L375-L534 HydrophobicContact CB-CD1 4.06Å; L375-L534 HydrophobicContact CB-CD2 4.23Å; L375-L534 HydrophobicContact CD2-CD2 4.42Å; T530-L534 HydrophobicContact CG2-CD1 3.97Å; T530-L534 WeakPolarHBondContact O-CB 3.32Å; T530-L534 WeakPolarHBondContact O-CG 3.43Å; T530-L534 PolarHBondContact O-N 3.05Å; C531-L534 PolarHBondContact O-N 3.07Å; E532-L534 VanDerWaalsContact C-N 3.26Å; E532-L534 PolarHBondContact O-N 3.34Å; L534-I536 VanDerWaalsContact C-N 3.29Å; L534-I536 HydrophobicContact CB-CD1 4.15Å; L534-I536 HydrophobicContact CB-CG1 3.88Å; L534-I536 HydrophobicContact CB-CG2 4.32Å; L534-I536 HydrophobicContact CD1-CD1 3.94Å; L534-I536 PolarHBondContact O-N 2.92Å
535	N	94.3	Very high	88.1	Confident	118 Å²	118	60.3 Å²	60.3	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	48.3	-168.6	-169.2	26.2	0	0	0	112.8	C531 E532	C531-N535 PolarHBondContact O-N 3.34Å; C531-N535 VanDerWaalsContact O-N 3.1Å; E532-N535 PolarHBondContact O-N 3.11Å
536	I	91.2	Very high	87.6	Confident	37 Å²	37	59.3 Å²	59.3	19%	0.19	30%	0.299	C	S	.	.			trans	-120	145.4	176.1	63.4	176.1	0	0	0	111.7	F374 L375 E378 C531 L534 C538	F374-I536 HydrophobicContact CE1-CD1 4.25Å; L375-I536 HydrophobicContact CD1-CD1 4.13Å; L375-I536 HydrophobicContact CD1-CG2 4.26Å; E378-I536 HydrophobicContact CB-CD1 4.49Å; E378-I536 HydrophobicContact CG-CD1 4.33Å; C531-I536 HydrophobicContact CB-CG1 4.36Å; C531-I536 PolarHBondContact O-N 3.37Å; L534-I536 VanDerWaalsContact C-N 3.29Å; L534-I536 HydrophobicContact CB-CD1 4.15Å; L534-I536 HydrophobicContact CB-CG1 3.88Å; L534-I536 HydrophobicContact CB-CG2 4.32Å; L534-I536 HydrophobicContact CD1-CD1 3.94Å; L534-I536 PolarHBondContact O-N 2.92Å; I536-C538 PolarHBondContact O-N 3.01Å
537	K	83.8	Confident	87	Confident	169 Å²	169	63.5 Å²	63.5	74%	0.735	32%	0.32	S	S	*	.			trans	-82.8	94.8	168.4	-67.5	-177.3	-178.6	178.3	0	108.6
538	C	71.3	Confident	86.3	Confident	17 Å²	17	67.9 Å²	67.9	12%	0.115	34%	0.343	C	S	.	.			trans	-73.6	133.3	161.1	-56.1	0	0	0	0	108.5	W527 C531 I536	W527-C538 HydrophobicContact CZ2-CB 3.88Å; W527-C538 VanDerWaalsContact NE1-CB 3.33Å; C531-C538 HydrophobicContact CB-CB 3.96Å; C531-C538 WeakPolarHBondContact CB-SG 3.29Å; C531-C538 WeakPolarHBondContact SG-CB 3.44Å; C531-C538 CovalentContact SG-SG 2.03Å; C531-C538 PolarHBondContact SG-SG 3.11Å; I536-C538 PolarHBondContact O-N 3.01Å
539	D	62.1	Low	85.6	Confident	63 Å²	63	67.1 Å²	67.1	34%	0.337	34%	0.337	S	S	.	.			trans	-69.8	147.6	175.4	-69.3	-51.5	0	0	0	110.8	Y19 R440	Y19-D539 WeakPolarHBondContact CB-OD2 3.49Å; Y19-D539 PolarHBondContact N-OD2 3.4Å; R440-D539 PolarHBondContact NH1-O 3.3Å
540	N	46.4	Very low	84.6	Confident	180 Å²	180	70.2 Å²	70.2	96%	0.963	36%	0.355	S	S	*	.			trans	-104.2	0	-171.8	-91.4	-26.5	0	0	0	113.4	R440	R440-N540 PolarHBondContact NH1-OD1 2.88Å

Retrieved 540 of 540 residues in 385.2 ms (Link to these results)

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